USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.11) USER MOD Set 1.2: A 82 GLN : amide:sc= 0 K(o=-0.42,f=0.82) USER MOD Single : A 10 THR OG1 : rot 89:sc= 0.466 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.215 (180deg=-1.01) USER MOD Single : A 17 THR OG1 : rot 95:sc= 1.07 USER MOD Single : A 19 ASN : amide:sc= -2.98! K(o=-3!,f=-0.19) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -54:sc= 0.548 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.426 USER MOD Single : A 29 THR OG1 : rot -86:sc= -0.0514 USER MOD Single : A 32 THR OG1 : rot 42:sc= 0.0015 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0836 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= -1.8 (180deg=-3.53!) USER MOD Single : A 48 THR OG1 : rot 65:sc= -0.34 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 58 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.68) USER MOD Single : A 60 TYR OH : rot -153:sc= 0.227 USER MOD Single : A 61 SER OG : rot 76:sc= 0.944 USER MOD Single : A 62 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-8.6!) USER MOD Single : A 63 HIS : no HD1:sc= -5.55! C(o=-5.6!,f=-3.9!) USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.223) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00124 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.904 K(o=-0.9,f=-4.2) USER MOD Single : A 80 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-4.2) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.6!) USER MOD Single : A 101 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 111 SER OG : rot -168:sc= -0.139 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00559 USER MOD Single : A 115 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.8!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 83:sc= 1 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.932 5.504 1.442 1.00 0.58 N ATOM 103 CA ASP A 8 -16.760 5.842 2.297 1.00 0.48 C ATOM 104 C ASP A 8 -15.891 6.880 1.586 1.00 0.47 C ATOM 105 O ASP A 8 -15.649 6.793 0.398 1.00 0.51 O ATOM 106 CB ASP A 8 -15.936 4.579 2.556 1.00 0.40 C ATOM 107 CG ASP A 8 -14.984 4.821 3.729 1.00 0.25 C ATOM 108 OD1 ASP A 8 -14.032 5.562 3.550 1.00 1.14 O ATOM 109 OD2 ASP A 8 -15.224 4.260 4.785 1.00 0.94 O ATOM 0 HA ASP A 8 -17.109 6.249 3.246 1.00 0.48 H new ATOM 0 HB2 ASP A 8 -16.596 3.740 2.777 1.00 0.40 H new ATOM 0 HB3 ASP A 8 -15.370 4.312 1.664 1.00 0.40 H new ATOM 114 N ILE A 9 -15.419 7.863 2.303 1.00 0.46 N ATOM 115 CA ILE A 9 -14.565 8.906 1.667 1.00 0.46 C ATOM 116 C ILE A 9 -13.092 8.518 1.813 1.00 0.34 C ATOM 117 O ILE A 9 -12.242 8.982 1.080 1.00 0.33 O ATOM 118 CB ILE A 9 -14.807 10.251 2.354 1.00 0.52 C ATOM 119 CG1 ILE A 9 -13.955 11.329 1.679 1.00 0.55 C ATOM 120 CG2 ILE A 9 -14.421 10.149 3.830 1.00 0.45 C ATOM 121 CD1 ILE A 9 -14.517 12.711 2.016 1.00 0.61 C ATOM 0 H ILE A 9 -15.588 7.989 3.301 1.00 0.46 H new ATOM 0 HA ILE A 9 -14.817 8.987 0.610 1.00 0.46 H new ATOM 0 HB ILE A 9 -15.861 10.515 2.272 1.00 0.52 H new ATOM 0 HG12 ILE A 9 -12.921 11.254 2.016 1.00 0.55 H new ATOM 0 HG13 ILE A 9 -13.950 11.180 0.599 1.00 0.55 H new ATOM 0 HG21 ILE A 9 -14.594 11.108 4.318 1.00 0.45 H new ATOM 0 HG22 ILE A 9 -15.027 9.382 4.312 1.00 0.45 H new ATOM 0 HG23 ILE A 9 -13.367 9.884 3.913 1.00 0.45 H new ATOM 0 HD11 ILE A 9 -13.910 13.478 1.535 1.00 0.61 H new ATOM 0 HD12 ILE A 9 -15.544 12.783 1.658 1.00 0.61 H new ATOM 0 HD13 ILE A 9 -14.498 12.858 3.096 1.00 0.61 H new ATOM 133 N THR A 10 -12.784 7.669 2.755 1.00 0.27 N ATOM 134 CA THR A 10 -11.366 7.252 2.947 1.00 0.19 C ATOM 135 C THR A 10 -10.875 6.524 1.694 1.00 0.22 C ATOM 136 O THR A 10 -9.726 6.625 1.316 1.00 0.40 O ATOM 137 CB THR A 10 -11.268 6.315 4.153 1.00 0.19 C ATOM 138 OG1 THR A 10 -12.121 6.786 5.187 1.00 0.18 O ATOM 139 CG2 THR A 10 -9.825 6.279 4.658 1.00 0.27 C ATOM 0 H THR A 10 -13.452 7.246 3.399 1.00 0.27 H new ATOM 0 HA THR A 10 -10.748 8.133 3.121 1.00 0.19 H new ATOM 0 HB THR A 10 -11.573 5.311 3.858 1.00 0.19 H new ATOM 0 HG1 THR A 10 -13.016 6.404 5.072 1.00 0.18 H new ATOM 0 HG21 THR A 10 -9.757 5.611 5.517 1.00 0.27 H new ATOM 0 HG22 THR A 10 -9.171 5.918 3.865 1.00 0.27 H new ATOM 0 HG23 THR A 10 -9.518 7.282 4.953 1.00 0.27 H new ATOM 147 N LEU A 11 -11.739 5.791 1.046 1.00 0.12 N ATOM 148 CA LEU A 11 -11.320 5.059 -0.182 1.00 0.12 C ATOM 149 C LEU A 11 -11.073 6.063 -1.311 1.00 0.13 C ATOM 150 O LEU A 11 -10.401 5.767 -2.281 1.00 0.14 O ATOM 151 CB LEU A 11 -12.426 4.086 -0.599 1.00 0.18 C ATOM 152 CG LEU A 11 -12.770 3.165 0.575 1.00 0.19 C ATOM 153 CD1 LEU A 11 -13.890 2.209 0.161 1.00 0.32 C ATOM 154 CD2 LEU A 11 -11.532 2.358 0.974 1.00 0.43 C ATOM 0 H LEU A 11 -12.715 5.668 1.314 1.00 0.12 H new ATOM 0 HA LEU A 11 -10.404 4.503 0.020 1.00 0.12 H new ATOM 0 HB2 LEU A 11 -13.312 4.639 -0.912 1.00 0.18 H new ATOM 0 HB3 LEU A 11 -12.100 3.495 -1.455 1.00 0.18 H new ATOM 0 HG LEU A 11 -13.099 3.766 1.423 1.00 0.19 H new ATOM 0 HD11 LEU A 11 -14.136 1.553 0.996 1.00 0.32 H new ATOM 0 HD12 LEU A 11 -14.773 2.783 -0.121 1.00 0.32 H new ATOM 0 HD13 LEU A 11 -13.561 1.609 -0.687 1.00 0.32 H new ATOM 0 HD21 LEU A 11 -11.778 1.703 1.810 1.00 0.43 H new ATOM 0 HD22 LEU A 11 -11.201 1.757 0.127 1.00 0.43 H new ATOM 0 HD23 LEU A 11 -10.734 3.039 1.270 1.00 0.43 H new ATOM 166 N GLN A 12 -11.609 7.246 -1.193 1.00 0.17 N ATOM 167 CA GLN A 12 -11.404 8.267 -2.259 1.00 0.23 C ATOM 168 C GLN A 12 -10.023 8.906 -2.096 1.00 0.23 C ATOM 169 O GLN A 12 -9.203 8.870 -2.991 1.00 0.28 O ATOM 170 CB GLN A 12 -12.483 9.346 -2.144 1.00 0.31 C ATOM 171 CG GLN A 12 -12.454 10.231 -3.393 1.00 0.29 C ATOM 172 CD GLN A 12 -13.620 11.220 -3.344 1.00 0.65 C ATOM 173 OE1 GLN A 12 -13.650 12.102 -2.509 1.00 0.85 O ATOM 174 NE2 GLN A 12 -14.590 11.111 -4.211 1.00 1.73 N ATOM 0 H GLN A 12 -12.180 7.550 -0.405 1.00 0.17 H new ATOM 0 HA GLN A 12 -11.469 7.790 -3.237 1.00 0.23 H new ATOM 0 HB2 GLN A 12 -13.464 8.884 -2.035 1.00 0.31 H new ATOM 0 HB3 GLN A 12 -12.315 9.951 -1.253 1.00 0.31 H new ATOM 0 HG2 GLN A 12 -11.508 10.770 -3.448 1.00 0.29 H new ATOM 0 HG3 GLN A 12 -12.523 9.615 -4.290 1.00 0.29 H new ATOM 0 HE21 GLN A 12 -14.566 10.371 -4.913 1.00 1.73 H new ATOM 0 HE22 GLN A 12 -15.372 11.766 -4.187 1.00 1.73 H new ATOM 183 N GLU A 13 -9.761 9.493 -0.960 1.00 0.24 N ATOM 184 CA GLU A 13 -8.434 10.134 -0.743 1.00 0.23 C ATOM 185 C GLU A 13 -7.333 9.076 -0.842 1.00 0.17 C ATOM 186 O GLU A 13 -6.191 9.378 -1.126 1.00 0.17 O ATOM 187 CB GLU A 13 -8.398 10.782 0.643 1.00 0.25 C ATOM 188 CG GLU A 13 -8.368 9.694 1.718 1.00 0.36 C ATOM 189 CD GLU A 13 -6.924 9.453 2.161 1.00 0.82 C ATOM 190 OE1 GLU A 13 -6.033 9.675 1.358 1.00 1.88 O ATOM 191 OE2 GLU A 13 -6.733 9.051 3.297 1.00 1.13 O ATOM 0 H GLU A 13 -10.408 9.556 -0.174 1.00 0.24 H new ATOM 0 HA GLU A 13 -8.272 10.898 -1.504 1.00 0.23 H new ATOM 0 HB2 GLU A 13 -7.520 11.421 0.734 1.00 0.25 H new ATOM 0 HB3 GLU A 13 -9.272 11.419 0.780 1.00 0.25 H new ATOM 0 HG2 GLU A 13 -8.976 9.994 2.571 1.00 0.36 H new ATOM 0 HG3 GLU A 13 -8.799 8.772 1.329 1.00 0.36 H new ATOM 198 N ILE A 14 -7.667 7.835 -0.612 1.00 0.14 N ATOM 199 CA ILE A 14 -6.639 6.760 -0.694 1.00 0.11 C ATOM 200 C ILE A 14 -6.271 6.520 -2.160 1.00 0.11 C ATOM 201 O ILE A 14 -5.128 6.648 -2.551 1.00 0.10 O ATOM 202 CB ILE A 14 -7.198 5.469 -0.091 1.00 0.12 C ATOM 203 CG1 ILE A 14 -7.031 5.507 1.431 1.00 0.13 C ATOM 204 CG2 ILE A 14 -6.437 4.268 -0.658 1.00 0.09 C ATOM 205 CD1 ILE A 14 -7.845 4.375 2.062 1.00 0.21 C ATOM 0 H ILE A 14 -8.607 7.520 -0.371 1.00 0.14 H new ATOM 0 HA ILE A 14 -5.751 7.064 -0.139 1.00 0.11 H new ATOM 0 HB ILE A 14 -8.255 5.378 -0.341 1.00 0.12 H new ATOM 0 HG12 ILE A 14 -5.978 5.403 1.695 1.00 0.13 H new ATOM 0 HG13 ILE A 14 -7.364 6.469 1.820 1.00 0.13 H new ATOM 0 HG21 ILE A 14 -6.835 3.349 -0.228 1.00 0.09 H new ATOM 0 HG22 ILE A 14 -6.553 4.242 -1.741 1.00 0.09 H new ATOM 0 HG23 ILE A 14 -5.380 4.357 -0.409 1.00 0.09 H new ATOM 0 HD11 ILE A 14 -7.726 4.402 3.145 1.00 0.21 H new ATOM 0 HD12 ILE A 14 -8.898 4.499 1.809 1.00 0.21 H new ATOM 0 HD13 ILE A 14 -7.491 3.417 1.682 1.00 0.21 H new ATOM 217 N ILE A 15 -7.230 6.173 -2.973 1.00 0.19 N ATOM 218 CA ILE A 15 -6.934 5.925 -4.412 1.00 0.22 C ATOM 219 C ILE A 15 -6.081 7.070 -4.962 1.00 0.21 C ATOM 220 O ILE A 15 -5.088 6.852 -5.628 1.00 0.21 O ATOM 221 CB ILE A 15 -8.246 5.847 -5.196 1.00 0.26 C ATOM 222 CG1 ILE A 15 -8.957 4.532 -4.867 1.00 0.28 C ATOM 223 CG2 ILE A 15 -7.950 5.903 -6.696 1.00 0.30 C ATOM 224 CD1 ILE A 15 -10.420 4.617 -5.307 1.00 0.31 C ATOM 0 H ILE A 15 -8.206 6.050 -2.703 1.00 0.19 H new ATOM 0 HA ILE A 15 -6.392 4.985 -4.514 1.00 0.22 H new ATOM 0 HB ILE A 15 -8.884 6.687 -4.920 1.00 0.26 H new ATOM 0 HG12 ILE A 15 -8.462 3.703 -5.372 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -8.899 4.333 -3.797 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -8.885 5.847 -7.254 1.00 0.30 H new ATOM 0 HG22 ILE A 15 -7.442 6.838 -6.932 1.00 0.30 H new ATOM 0 HG23 ILE A 15 -7.312 5.064 -6.973 1.00 0.30 H new ATOM 0 HD11 ILE A 15 -10.926 3.680 -5.072 1.00 0.31 H new ATOM 0 HD12 ILE A 15 -10.911 5.436 -4.781 1.00 0.31 H new ATOM 0 HD13 ILE A 15 -10.467 4.796 -6.381 1.00 0.31 H new ATOM 236 N LYS A 16 -6.457 8.289 -4.687 1.00 0.21 N ATOM 237 CA LYS A 16 -5.666 9.445 -5.194 1.00 0.20 C ATOM 238 C LYS A 16 -4.238 9.365 -4.647 1.00 0.17 C ATOM 239 O LYS A 16 -3.279 9.612 -5.349 1.00 0.19 O ATOM 240 CB LYS A 16 -6.317 10.750 -4.731 1.00 0.22 C ATOM 241 CG LYS A 16 -7.488 11.093 -5.655 1.00 0.73 C ATOM 242 CD LYS A 16 -8.548 11.869 -4.870 1.00 1.27 C ATOM 243 CE LYS A 16 -7.928 13.147 -4.301 1.00 0.62 C ATOM 244 NZ LYS A 16 -7.151 13.840 -5.367 1.00 1.68 N ATOM 0 H LYS A 16 -7.278 8.534 -4.133 1.00 0.21 H new ATOM 0 HA LYS A 16 -5.640 9.418 -6.283 1.00 0.20 H new ATOM 0 HB2 LYS A 16 -6.668 10.649 -3.704 1.00 0.22 H new ATOM 0 HB3 LYS A 16 -5.585 11.557 -4.740 1.00 0.22 H new ATOM 0 HG2 LYS A 16 -7.137 11.688 -6.499 1.00 0.73 H new ATOM 0 HG3 LYS A 16 -7.920 10.181 -6.066 1.00 0.73 H new ATOM 0 HD2 LYS A 16 -9.387 12.117 -5.519 1.00 1.27 H new ATOM 0 HD3 LYS A 16 -8.942 11.252 -4.062 1.00 1.27 H new ATOM 0 HE2 LYS A 16 -8.709 13.805 -3.920 1.00 0.62 H new ATOM 0 HE3 LYS A 16 -7.277 12.905 -3.461 1.00 0.62 H new ATOM 0 HZ1 LYS A 16 -7.091 14.855 -5.148 1.00 1.68 H new ATOM 0 HZ2 LYS A 16 -6.193 13.439 -5.415 1.00 1.68 H new ATOM 0 HZ3 LYS A 16 -7.626 13.711 -6.283 1.00 1.68 H new ATOM 258 N THR A 17 -4.092 9.020 -3.396 1.00 0.17 N ATOM 259 CA THR A 17 -2.727 8.925 -2.806 1.00 0.22 C ATOM 260 C THR A 17 -1.887 7.940 -3.620 1.00 0.23 C ATOM 261 O THR A 17 -0.766 8.225 -3.993 1.00 0.26 O ATOM 262 CB THR A 17 -2.831 8.434 -1.359 1.00 0.25 C ATOM 263 OG1 THR A 17 -3.758 9.244 -0.651 1.00 0.32 O ATOM 264 CG2 THR A 17 -1.459 8.520 -0.690 1.00 0.33 C ATOM 0 H THR A 17 -4.858 8.800 -2.759 1.00 0.17 H new ATOM 0 HA THR A 17 -2.253 9.907 -2.824 1.00 0.22 H new ATOM 0 HB THR A 17 -3.173 7.399 -1.350 1.00 0.25 H new ATOM 0 HG1 THR A 17 -4.640 8.817 -0.661 1.00 0.32 H new ATOM 0 HG21 THR A 17 -1.534 8.170 0.340 1.00 0.33 H new ATOM 0 HG22 THR A 17 -0.749 7.897 -1.234 1.00 0.33 H new ATOM 0 HG23 THR A 17 -1.114 9.554 -0.698 1.00 0.33 H new ATOM 272 N LEU A 18 -2.418 6.781 -3.898 1.00 0.25 N ATOM 273 CA LEU A 18 -1.649 5.778 -4.687 1.00 0.31 C ATOM 274 C LEU A 18 -1.155 6.422 -5.985 1.00 0.31 C ATOM 275 O LEU A 18 0.007 6.332 -6.331 1.00 0.47 O ATOM 276 CB LEU A 18 -2.551 4.588 -5.019 1.00 0.34 C ATOM 277 CG LEU A 18 -3.197 4.062 -3.737 1.00 0.33 C ATOM 278 CD1 LEU A 18 -4.095 2.868 -4.068 1.00 0.29 C ATOM 279 CD2 LEU A 18 -2.105 3.622 -2.759 1.00 0.68 C ATOM 0 H LEU A 18 -3.352 6.485 -3.613 1.00 0.25 H new ATOM 0 HA LEU A 18 -0.795 5.434 -4.103 1.00 0.31 H new ATOM 0 HB2 LEU A 18 -3.321 4.889 -5.729 1.00 0.34 H new ATOM 0 HB3 LEU A 18 -1.969 3.799 -5.495 1.00 0.34 H new ATOM 0 HG LEU A 18 -3.796 4.852 -3.283 1.00 0.33 H new ATOM 0 HD11 LEU A 18 -4.555 2.494 -3.153 1.00 0.29 H new ATOM 0 HD12 LEU A 18 -4.873 3.180 -4.764 1.00 0.29 H new ATOM 0 HD13 LEU A 18 -3.497 2.078 -4.523 1.00 0.29 H new ATOM 0 HD21 LEU A 18 -2.565 3.247 -1.845 1.00 0.68 H new ATOM 0 HD22 LEU A 18 -1.506 2.833 -3.214 1.00 0.68 H new ATOM 0 HD23 LEU A 18 -1.466 4.472 -2.521 1.00 0.68 H new ATOM 291 N ASN A 19 -2.028 7.069 -6.708 1.00 0.24 N ATOM 292 CA ASN A 19 -1.607 7.717 -7.981 1.00 0.24 C ATOM 293 C ASN A 19 -0.380 8.594 -7.728 1.00 0.21 C ATOM 294 O ASN A 19 0.537 8.642 -8.524 1.00 0.16 O ATOM 295 CB ASN A 19 -2.751 8.582 -8.515 1.00 0.25 C ATOM 296 CG ASN A 19 -3.856 7.683 -9.069 1.00 0.29 C ATOM 297 OD1 ASN A 19 -4.517 8.031 -10.028 1.00 0.88 O ATOM 298 ND2 ASN A 19 -4.089 6.531 -8.502 1.00 1.57 N ATOM 0 H ASN A 19 -3.014 7.176 -6.472 1.00 0.24 H new ATOM 0 HA ASN A 19 -1.358 6.949 -8.714 1.00 0.24 H new ATOM 0 HB2 ASN A 19 -3.146 9.213 -7.719 1.00 0.25 H new ATOM 0 HB3 ASN A 19 -2.384 9.248 -9.296 1.00 0.25 H new ATOM 0 HD21 ASN A 19 -4.825 5.924 -8.864 1.00 1.57 H new ATOM 0 HD22 ASN A 19 -3.535 6.237 -7.697 1.00 1.57 H new ATOM 305 N SER A 20 -0.352 9.288 -6.623 1.00 0.25 N ATOM 306 CA SER A 20 0.816 10.160 -6.320 1.00 0.24 C ATOM 307 C SER A 20 2.080 9.303 -6.221 1.00 0.26 C ATOM 308 O SER A 20 3.119 9.648 -6.749 1.00 0.23 O ATOM 309 CB SER A 20 0.585 10.879 -4.990 1.00 0.23 C ATOM 310 OG SER A 20 -0.668 11.551 -5.032 1.00 0.49 O ATOM 0 H SER A 20 -1.088 9.288 -5.917 1.00 0.25 H new ATOM 0 HA SER A 20 0.935 10.896 -7.116 1.00 0.24 H new ATOM 0 HB2 SER A 20 0.599 10.163 -4.169 1.00 0.23 H new ATOM 0 HB3 SER A 20 1.388 11.593 -4.805 1.00 0.23 H new ATOM 0 HG SER A 20 -0.821 12.012 -4.181 1.00 0.49 H new ATOM 316 N LEU A 21 2.000 8.187 -5.549 1.00 0.33 N ATOM 317 CA LEU A 21 3.196 7.309 -5.416 1.00 0.37 C ATOM 318 C LEU A 21 3.704 6.922 -6.807 1.00 0.41 C ATOM 319 O LEU A 21 4.887 6.974 -7.082 1.00 0.49 O ATOM 320 CB LEU A 21 2.815 6.045 -4.642 1.00 0.31 C ATOM 321 CG LEU A 21 3.118 6.243 -3.155 1.00 0.45 C ATOM 322 CD1 LEU A 21 2.306 5.242 -2.332 1.00 0.33 C ATOM 323 CD2 LEU A 21 4.612 6.016 -2.897 1.00 0.67 C ATOM 0 H LEU A 21 1.158 7.846 -5.086 1.00 0.33 H new ATOM 0 HA LEU A 21 3.981 7.842 -4.879 1.00 0.37 H new ATOM 0 HB2 LEU A 21 1.756 5.826 -4.782 1.00 0.31 H new ATOM 0 HB3 LEU A 21 3.371 5.190 -5.026 1.00 0.31 H new ATOM 0 HG LEU A 21 2.850 7.259 -2.866 1.00 0.45 H new ATOM 0 HD11 LEU A 21 2.521 5.382 -1.273 1.00 0.33 H new ATOM 0 HD12 LEU A 21 1.243 5.402 -2.510 1.00 0.33 H new ATOM 0 HD13 LEU A 21 2.574 4.227 -2.625 1.00 0.33 H new ATOM 0 HD21 LEU A 21 4.824 6.158 -1.837 1.00 0.67 H new ATOM 0 HD22 LEU A 21 4.881 5.001 -3.188 1.00 0.67 H new ATOM 0 HD23 LEU A 21 5.195 6.728 -3.482 1.00 0.67 H new ATOM 335 N THR A 22 2.821 6.534 -7.686 1.00 0.38 N ATOM 336 CA THR A 22 3.257 6.143 -9.057 1.00 0.46 C ATOM 337 C THR A 22 4.088 7.272 -9.669 1.00 0.54 C ATOM 338 O THR A 22 5.147 7.049 -10.223 1.00 0.78 O ATOM 339 CB THR A 22 2.028 5.883 -9.930 1.00 0.45 C ATOM 340 OG1 THR A 22 1.329 7.102 -10.138 1.00 0.47 O ATOM 341 CG2 THR A 22 1.108 4.877 -9.234 1.00 0.40 C ATOM 0 H THR A 22 1.817 6.471 -7.515 1.00 0.38 H new ATOM 0 HA THR A 22 3.860 5.237 -9.001 1.00 0.46 H new ATOM 0 HB THR A 22 2.345 5.478 -10.891 1.00 0.45 H new ATOM 0 HG1 THR A 22 1.134 7.519 -9.273 1.00 0.47 H new ATOM 0 HG21 THR A 22 0.233 4.693 -9.857 1.00 0.40 H new ATOM 0 HG22 THR A 22 1.645 3.942 -9.076 1.00 0.40 H new ATOM 0 HG23 THR A 22 0.790 5.279 -8.272 1.00 0.40 H new ATOM 349 N GLU A 23 3.616 8.486 -9.577 1.00 0.35 N ATOM 350 CA GLU A 23 4.380 9.627 -10.156 1.00 0.44 C ATOM 351 C GLU A 23 5.830 9.569 -9.670 1.00 0.46 C ATOM 352 O GLU A 23 6.740 9.998 -10.352 1.00 0.54 O ATOM 353 CB GLU A 23 3.744 10.945 -9.710 1.00 0.46 C ATOM 354 CG GLU A 23 2.845 11.481 -10.825 1.00 0.61 C ATOM 355 CD GLU A 23 3.710 12.018 -11.966 1.00 1.81 C ATOM 356 OE1 GLU A 23 4.302 13.070 -11.789 1.00 2.32 O ATOM 357 OE2 GLU A 23 3.766 11.368 -12.998 1.00 2.78 O ATOM 0 H GLU A 23 2.736 8.736 -9.127 1.00 0.35 H new ATOM 0 HA GLU A 23 4.359 9.564 -11.244 1.00 0.44 H new ATOM 0 HB2 GLU A 23 3.162 10.791 -8.801 1.00 0.46 H new ATOM 0 HB3 GLU A 23 4.520 11.673 -9.472 1.00 0.46 H new ATOM 0 HG2 GLU A 23 2.192 10.689 -11.192 1.00 0.61 H new ATOM 0 HG3 GLU A 23 2.202 12.272 -10.439 1.00 0.61 H new ATOM 364 N GLN A 24 6.052 9.043 -8.498 1.00 0.40 N ATOM 365 CA GLN A 24 7.442 8.956 -7.968 1.00 0.42 C ATOM 366 C GLN A 24 8.040 7.595 -8.329 1.00 0.39 C ATOM 367 O GLN A 24 7.339 6.611 -8.451 1.00 0.25 O ATOM 368 CB GLN A 24 7.420 9.116 -6.447 1.00 0.41 C ATOM 369 CG GLN A 24 6.655 10.389 -6.077 1.00 0.81 C ATOM 370 CD GLN A 24 7.560 11.308 -5.255 1.00 0.81 C ATOM 371 OE1 GLN A 24 7.990 10.950 -4.177 1.00 1.51 O ATOM 372 NE2 GLN A 24 7.871 12.486 -5.722 1.00 0.97 N ATOM 0 H GLN A 24 5.330 8.669 -7.883 1.00 0.40 H new ATOM 0 HA GLN A 24 8.048 9.748 -8.407 1.00 0.42 H new ATOM 0 HB2 GLN A 24 6.947 8.248 -5.987 1.00 0.41 H new ATOM 0 HB3 GLN A 24 8.438 9.166 -6.061 1.00 0.41 H new ATOM 0 HG2 GLN A 24 6.322 10.901 -6.980 1.00 0.81 H new ATOM 0 HG3 GLN A 24 5.761 10.136 -5.506 1.00 0.81 H new ATOM 0 HE21 GLN A 24 7.510 12.787 -6.627 1.00 0.97 H new ATOM 0 HE22 GLN A 24 8.475 13.106 -5.182 1.00 0.97 H new ATOM 381 N LYS A 25 9.332 7.532 -8.502 1.00 0.53 N ATOM 382 CA LYS A 25 9.973 6.233 -8.856 1.00 0.51 C ATOM 383 C LYS A 25 11.377 6.173 -8.250 1.00 0.59 C ATOM 384 O LYS A 25 12.127 7.126 -8.303 1.00 1.11 O ATOM 385 CB LYS A 25 10.069 6.109 -10.379 1.00 0.60 C ATOM 386 CG LYS A 25 8.670 6.223 -10.989 1.00 0.68 C ATOM 387 CD LYS A 25 8.725 5.827 -12.466 1.00 0.58 C ATOM 388 CE LYS A 25 7.917 6.829 -13.293 1.00 1.03 C ATOM 389 NZ LYS A 25 7.772 6.321 -14.687 1.00 1.15 N ATOM 0 H LYS A 25 9.971 8.322 -8.414 1.00 0.53 H new ATOM 0 HA LYS A 25 9.372 5.413 -8.462 1.00 0.51 H new ATOM 0 HB2 LYS A 25 10.716 6.890 -10.778 1.00 0.60 H new ATOM 0 HB3 LYS A 25 10.519 5.153 -10.649 1.00 0.60 H new ATOM 0 HG2 LYS A 25 7.974 5.577 -10.454 1.00 0.68 H new ATOM 0 HG3 LYS A 25 8.299 7.243 -10.888 1.00 0.68 H new ATOM 0 HD2 LYS A 25 9.759 5.806 -12.810 1.00 0.58 H new ATOM 0 HD3 LYS A 25 8.324 4.822 -12.599 1.00 0.58 H new ATOM 0 HE2 LYS A 25 6.935 6.978 -12.845 1.00 1.03 H new ATOM 0 HE3 LYS A 25 8.415 7.798 -13.298 1.00 1.03 H new ATOM 0 HZ1 LYS A 25 7.223 7.002 -15.249 1.00 1.15 H new ATOM 0 HZ2 LYS A 25 8.713 6.200 -15.112 1.00 1.15 H new ATOM 0 HZ3 LYS A 25 7.278 5.406 -14.673 1.00 1.15 H new ATOM 403 N THR A 26 11.737 5.057 -7.675 1.00 0.42 N ATOM 404 CA THR A 26 13.092 4.934 -7.067 1.00 0.49 C ATOM 405 C THR A 26 13.591 3.496 -7.230 1.00 0.48 C ATOM 406 O THR A 26 12.853 2.614 -7.620 1.00 0.56 O ATOM 407 CB THR A 26 13.017 5.283 -5.579 1.00 0.49 C ATOM 408 OG1 THR A 26 12.293 4.269 -4.893 1.00 0.40 O ATOM 409 CG2 THR A 26 12.309 6.627 -5.402 1.00 0.46 C ATOM 0 H THR A 26 11.151 4.226 -7.600 1.00 0.42 H new ATOM 0 HA THR A 26 13.780 5.618 -7.565 1.00 0.49 H new ATOM 0 HB THR A 26 14.025 5.351 -5.170 1.00 0.49 H new ATOM 0 HG1 THR A 26 12.107 4.563 -3.977 1.00 0.40 H new ATOM 0 HG21 THR A 26 12.257 6.874 -4.342 1.00 0.46 H new ATOM 0 HG22 THR A 26 12.865 7.403 -5.928 1.00 0.46 H new ATOM 0 HG23 THR A 26 11.300 6.563 -5.810 1.00 0.46 H new ATOM 417 N LEU A 27 14.839 3.253 -6.934 1.00 0.44 N ATOM 418 CA LEU A 27 15.380 1.872 -7.074 1.00 0.44 C ATOM 419 C LEU A 27 14.735 0.965 -6.023 1.00 0.44 C ATOM 420 O LEU A 27 14.941 -0.233 -6.013 1.00 0.51 O ATOM 421 CB LEU A 27 16.897 1.893 -6.874 1.00 0.46 C ATOM 422 CG LEU A 27 17.224 2.277 -5.431 1.00 0.42 C ATOM 423 CD1 LEU A 27 17.645 1.028 -4.653 1.00 0.59 C ATOM 424 CD2 LEU A 27 18.371 3.290 -5.423 1.00 0.26 C ATOM 0 H LEU A 27 15.506 3.950 -6.602 1.00 0.44 H new ATOM 0 HA LEU A 27 15.154 1.491 -8.070 1.00 0.44 H new ATOM 0 HB2 LEU A 27 17.317 0.914 -7.103 1.00 0.46 H new ATOM 0 HB3 LEU A 27 17.354 2.605 -7.562 1.00 0.46 H new ATOM 0 HG LEU A 27 16.343 2.717 -4.963 1.00 0.42 H new ATOM 0 HD11 LEU A 27 17.878 1.302 -3.624 1.00 0.59 H new ATOM 0 HD12 LEU A 27 16.831 0.303 -4.660 1.00 0.59 H new ATOM 0 HD13 LEU A 27 18.526 0.588 -5.120 1.00 0.59 H new ATOM 0 HD21 LEU A 27 18.606 3.565 -4.395 1.00 0.26 H new ATOM 0 HD22 LEU A 27 19.251 2.847 -5.890 1.00 0.26 H new ATOM 0 HD23 LEU A 27 18.074 4.180 -5.978 1.00 0.26 H new ATOM 436 N CYS A 28 13.956 1.527 -5.141 1.00 0.39 N ATOM 437 CA CYS A 28 13.298 0.699 -4.091 1.00 0.38 C ATOM 438 C CYS A 28 12.283 -0.241 -4.748 1.00 0.50 C ATOM 439 O CYS A 28 11.744 -1.127 -4.115 1.00 0.60 O ATOM 440 CB CYS A 28 12.577 1.613 -3.098 1.00 0.32 C ATOM 441 SG CYS A 28 13.044 1.159 -1.409 1.00 0.23 S ATOM 0 H CYS A 28 13.746 2.524 -5.102 1.00 0.39 H new ATOM 0 HA CYS A 28 14.051 0.113 -3.564 1.00 0.38 H new ATOM 0 HB2 CYS A 28 12.837 2.654 -3.291 1.00 0.32 H new ATOM 0 HB3 CYS A 28 11.498 1.525 -3.224 1.00 0.32 H new ATOM 446 N THR A 29 12.020 -0.054 -6.012 1.00 0.49 N ATOM 447 CA THR A 29 11.041 -0.936 -6.708 1.00 0.60 C ATOM 448 C THR A 29 11.715 -2.262 -7.066 1.00 0.65 C ATOM 449 O THR A 29 11.114 -3.315 -6.988 1.00 0.89 O ATOM 450 CB THR A 29 10.554 -0.249 -7.987 1.00 0.66 C ATOM 451 OG1 THR A 29 11.624 -0.172 -8.917 1.00 0.77 O ATOM 452 CG2 THR A 29 10.060 1.160 -7.655 1.00 0.63 C ATOM 0 H THR A 29 12.441 0.671 -6.593 1.00 0.49 H new ATOM 0 HA THR A 29 10.192 -1.125 -6.052 1.00 0.60 H new ATOM 0 HB THR A 29 9.736 -0.824 -8.421 1.00 0.66 H new ATOM 0 HG1 THR A 29 12.147 0.639 -8.748 1.00 0.77 H new ATOM 0 HG21 THR A 29 9.714 1.648 -8.566 1.00 0.63 H new ATOM 0 HG22 THR A 29 9.238 1.099 -6.941 1.00 0.63 H new ATOM 0 HG23 THR A 29 10.875 1.739 -7.221 1.00 0.63 H new ATOM 460 N GLU A 30 12.959 -2.219 -7.459 1.00 0.50 N ATOM 461 CA GLU A 30 13.669 -3.478 -7.821 1.00 0.54 C ATOM 462 C GLU A 30 13.427 -4.530 -6.737 1.00 0.47 C ATOM 463 O GLU A 30 13.509 -5.718 -6.981 1.00 0.46 O ATOM 464 CB GLU A 30 15.170 -3.201 -7.937 1.00 0.60 C ATOM 465 CG GLU A 30 15.693 -3.767 -9.260 1.00 1.58 C ATOM 466 CD GLU A 30 15.119 -2.959 -10.425 1.00 0.55 C ATOM 467 OE1 GLU A 30 15.404 -1.774 -10.495 1.00 0.90 O ATOM 468 OE2 GLU A 30 14.405 -3.537 -11.227 1.00 1.64 O ATOM 0 H GLU A 30 13.514 -1.367 -7.545 1.00 0.50 H new ATOM 0 HA GLU A 30 13.292 -3.846 -8.775 1.00 0.54 H new ATOM 0 HB2 GLU A 30 15.357 -2.128 -7.889 1.00 0.60 H new ATOM 0 HB3 GLU A 30 15.700 -3.655 -7.100 1.00 0.60 H new ATOM 0 HG2 GLU A 30 16.782 -3.728 -9.279 1.00 1.58 H new ATOM 0 HG3 GLU A 30 15.410 -4.815 -9.356 1.00 1.58 H new ATOM 475 N LEU A 31 13.130 -4.104 -5.541 1.00 0.56 N ATOM 476 CA LEU A 31 12.882 -5.079 -4.441 1.00 0.49 C ATOM 477 C LEU A 31 11.671 -5.946 -4.792 1.00 0.51 C ATOM 478 O LEU A 31 11.176 -5.917 -5.900 1.00 1.24 O ATOM 479 CB LEU A 31 12.609 -4.321 -3.141 1.00 0.45 C ATOM 480 CG LEU A 31 13.702 -3.273 -2.921 1.00 0.49 C ATOM 481 CD1 LEU A 31 13.458 -2.551 -1.595 1.00 0.47 C ATOM 482 CD2 LEU A 31 15.067 -3.964 -2.881 1.00 0.57 C ATOM 0 H LEU A 31 13.048 -3.122 -5.277 1.00 0.56 H new ATOM 0 HA LEU A 31 13.758 -5.715 -4.313 1.00 0.49 H new ATOM 0 HB2 LEU A 31 11.632 -3.839 -3.187 1.00 0.45 H new ATOM 0 HB3 LEU A 31 12.582 -5.016 -2.301 1.00 0.45 H new ATOM 0 HG LEU A 31 13.682 -2.550 -3.737 1.00 0.49 H new ATOM 0 HD11 LEU A 31 14.237 -1.805 -1.438 1.00 0.47 H new ATOM 0 HD12 LEU A 31 12.485 -2.060 -1.622 1.00 0.47 H new ATOM 0 HD13 LEU A 31 13.478 -3.273 -0.779 1.00 0.47 H new ATOM 0 HD21 LEU A 31 15.847 -3.219 -2.724 1.00 0.57 H new ATOM 0 HD22 LEU A 31 15.085 -4.686 -2.065 1.00 0.57 H new ATOM 0 HD23 LEU A 31 15.242 -4.479 -3.825 1.00 0.57 H new ATOM 494 N THR A 32 11.191 -6.717 -3.854 1.00 0.43 N ATOM 495 CA THR A 32 10.013 -7.585 -4.132 1.00 0.34 C ATOM 496 C THR A 32 9.164 -7.713 -2.867 1.00 0.35 C ATOM 497 O THR A 32 9.649 -8.084 -1.817 1.00 0.44 O ATOM 498 CB THR A 32 10.492 -8.972 -4.567 1.00 0.34 C ATOM 499 OG1 THR A 32 11.653 -9.323 -3.828 1.00 0.21 O ATOM 500 CG2 THR A 32 10.822 -8.955 -6.060 1.00 0.46 C ATOM 0 H THR A 32 11.564 -6.783 -2.907 1.00 0.43 H new ATOM 0 HA THR A 32 9.415 -7.141 -4.928 1.00 0.34 H new ATOM 0 HB THR A 32 9.706 -9.703 -4.379 1.00 0.34 H new ATOM 0 HG1 THR A 32 11.538 -9.056 -2.892 1.00 0.21 H new ATOM 0 HG21 THR A 32 11.163 -9.943 -6.369 1.00 0.46 H new ATOM 0 HG22 THR A 32 9.931 -8.685 -6.627 1.00 0.46 H new ATOM 0 HG23 THR A 32 11.608 -8.224 -6.251 1.00 0.46 H new ATOM 508 N VAL A 33 7.898 -7.407 -2.957 1.00 0.31 N ATOM 509 CA VAL A 33 7.018 -7.510 -1.759 1.00 0.38 C ATOM 510 C VAL A 33 6.342 -8.883 -1.739 1.00 0.31 C ATOM 511 O VAL A 33 6.376 -9.616 -2.707 1.00 0.29 O ATOM 512 CB VAL A 33 5.949 -6.417 -1.816 1.00 0.47 C ATOM 513 CG1 VAL A 33 6.591 -5.096 -2.245 1.00 0.53 C ATOM 514 CG2 VAL A 33 4.871 -6.811 -2.829 1.00 0.47 C ATOM 0 H VAL A 33 7.435 -7.090 -3.809 1.00 0.31 H new ATOM 0 HA VAL A 33 7.617 -7.386 -0.857 1.00 0.38 H new ATOM 0 HB VAL A 33 5.498 -6.299 -0.831 1.00 0.47 H new ATOM 0 HG11 VAL A 33 5.829 -4.317 -2.286 1.00 0.53 H new ATOM 0 HG12 VAL A 33 7.360 -4.814 -1.525 1.00 0.53 H new ATOM 0 HG13 VAL A 33 7.042 -5.214 -3.230 1.00 0.53 H new ATOM 0 HG21 VAL A 33 4.109 -6.033 -2.870 1.00 0.47 H new ATOM 0 HG22 VAL A 33 5.323 -6.929 -3.814 1.00 0.47 H new ATOM 0 HG23 VAL A 33 4.413 -7.752 -2.525 1.00 0.47 H new ATOM 524 N THR A 34 5.727 -9.236 -0.643 1.00 0.30 N ATOM 525 CA THR A 34 5.051 -10.560 -0.562 1.00 0.28 C ATOM 526 C THR A 34 3.647 -10.453 -1.160 1.00 0.36 C ATOM 527 O THR A 34 2.758 -9.861 -0.582 1.00 0.76 O ATOM 528 CB THR A 34 4.950 -10.993 0.903 1.00 0.29 C ATOM 529 OG1 THR A 34 6.196 -11.529 1.324 1.00 0.55 O ATOM 530 CG2 THR A 34 3.859 -12.055 1.049 1.00 0.32 C ATOM 0 H THR A 34 5.664 -8.664 0.199 1.00 0.30 H new ATOM 0 HA THR A 34 5.628 -11.297 -1.120 1.00 0.28 H new ATOM 0 HB THR A 34 4.699 -10.131 1.521 1.00 0.29 H new ATOM 0 HG1 THR A 34 6.133 -11.805 2.262 1.00 0.55 H new ATOM 0 HG21 THR A 34 3.788 -12.363 2.092 1.00 0.32 H new ATOM 0 HG22 THR A 34 2.903 -11.642 0.727 1.00 0.32 H new ATOM 0 HG23 THR A 34 4.107 -12.919 0.432 1.00 0.32 H new ATOM 538 N ASP A 35 3.439 -11.024 -2.315 1.00 0.16 N ATOM 539 CA ASP A 35 2.092 -10.953 -2.949 1.00 0.17 C ATOM 540 C ASP A 35 1.023 -11.312 -1.916 1.00 0.06 C ATOM 541 O ASP A 35 1.325 -11.752 -0.824 1.00 0.44 O ATOM 542 CB ASP A 35 2.026 -11.942 -4.116 1.00 0.25 C ATOM 543 CG ASP A 35 0.884 -11.548 -5.055 1.00 0.25 C ATOM 544 OD1 ASP A 35 1.118 -10.734 -5.932 1.00 1.03 O ATOM 545 OD2 ASP A 35 -0.207 -12.068 -4.879 1.00 1.12 O ATOM 0 H ASP A 35 4.143 -11.536 -2.847 1.00 0.16 H new ATOM 0 HA ASP A 35 1.916 -9.942 -3.318 1.00 0.17 H new ATOM 0 HB2 ASP A 35 2.972 -11.945 -4.658 1.00 0.25 H new ATOM 0 HB3 ASP A 35 1.870 -12.954 -3.741 1.00 0.25 H new ATOM 550 N ILE A 36 -0.224 -11.129 -2.251 1.00 0.45 N ATOM 551 CA ILE A 36 -1.312 -11.459 -1.286 1.00 0.36 C ATOM 552 C ILE A 36 -2.544 -11.948 -2.052 1.00 0.32 C ATOM 553 O ILE A 36 -3.269 -12.808 -1.595 1.00 0.31 O ATOM 554 CB ILE A 36 -1.675 -10.212 -0.479 1.00 0.34 C ATOM 555 CG1 ILE A 36 -1.894 -9.033 -1.433 1.00 0.45 C ATOM 556 CG2 ILE A 36 -0.537 -9.878 0.487 1.00 0.35 C ATOM 557 CD1 ILE A 36 -2.253 -7.784 -0.627 1.00 0.39 C ATOM 0 H ILE A 36 -0.538 -10.765 -3.151 1.00 0.45 H new ATOM 0 HA ILE A 36 -0.971 -12.242 -0.609 1.00 0.36 H new ATOM 0 HB ILE A 36 -2.588 -10.400 0.086 1.00 0.34 H new ATOM 0 HG12 ILE A 36 -0.993 -8.854 -2.019 1.00 0.45 H new ATOM 0 HG13 ILE A 36 -2.692 -9.265 -2.138 1.00 0.45 H new ATOM 0 HG21 ILE A 36 -0.797 -8.989 1.062 1.00 0.35 H new ATOM 0 HG22 ILE A 36 -0.379 -10.716 1.166 1.00 0.35 H new ATOM 0 HG23 ILE A 36 0.376 -9.691 -0.078 1.00 0.35 H new ATOM 0 HD11 ILE A 36 -2.409 -6.945 -1.306 1.00 0.39 H new ATOM 0 HD12 ILE A 36 -3.166 -7.967 -0.060 1.00 0.39 H new ATOM 0 HD13 ILE A 36 -1.440 -7.548 0.060 1.00 0.39 H new ATOM 569 N PHE A 37 -2.783 -11.408 -3.216 1.00 0.34 N ATOM 570 CA PHE A 37 -3.968 -11.843 -4.009 1.00 0.35 C ATOM 571 C PHE A 37 -3.692 -13.215 -4.626 1.00 0.42 C ATOM 572 O PHE A 37 -4.573 -13.850 -5.174 1.00 0.47 O ATOM 573 CB PHE A 37 -4.238 -10.828 -5.121 1.00 0.37 C ATOM 574 CG PHE A 37 -4.307 -9.440 -4.530 1.00 0.35 C ATOM 575 CD1 PHE A 37 -5.425 -9.053 -3.782 1.00 0.31 C ATOM 576 CD2 PHE A 37 -3.252 -8.541 -4.729 1.00 0.37 C ATOM 577 CE1 PHE A 37 -5.489 -7.767 -3.233 1.00 0.29 C ATOM 578 CE2 PHE A 37 -3.317 -7.255 -4.181 1.00 0.35 C ATOM 579 CZ PHE A 37 -4.436 -6.867 -3.433 1.00 0.30 C ATOM 0 H PHE A 37 -2.210 -10.685 -3.652 1.00 0.34 H new ATOM 0 HA PHE A 37 -4.839 -11.907 -3.357 1.00 0.35 H new ATOM 0 HB2 PHE A 37 -3.449 -10.876 -5.872 1.00 0.37 H new ATOM 0 HB3 PHE A 37 -5.174 -11.067 -5.626 1.00 0.37 H new ATOM 0 HD1 PHE A 37 -6.238 -9.747 -3.628 1.00 0.31 H new ATOM 0 HD2 PHE A 37 -2.389 -8.840 -5.305 1.00 0.37 H new ATOM 0 HE1 PHE A 37 -6.351 -7.469 -2.655 1.00 0.29 H new ATOM 0 HE2 PHE A 37 -2.504 -6.561 -4.335 1.00 0.35 H new ATOM 0 HZ PHE A 37 -4.486 -5.874 -3.011 1.00 0.30 H new ATOM 589 N ALA A 38 -2.475 -13.680 -4.544 1.00 0.45 N ATOM 590 CA ALA A 38 -2.145 -15.011 -5.127 1.00 0.52 C ATOM 591 C ALA A 38 -2.349 -16.096 -4.067 1.00 0.22 C ATOM 592 O ALA A 38 -1.762 -17.158 -4.132 1.00 0.07 O ATOM 593 CB ALA A 38 -0.686 -15.017 -5.588 1.00 0.76 C ATOM 0 H ALA A 38 -1.696 -13.196 -4.099 1.00 0.45 H new ATOM 0 HA ALA A 38 -2.797 -15.207 -5.979 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -0.443 -15.990 -6.015 1.00 0.76 H new ATOM 0 HB2 ALA A 38 -0.539 -14.243 -6.342 1.00 0.76 H new ATOM 0 HB3 ALA A 38 -0.034 -14.822 -4.736 1.00 0.76 H new ATOM 599 N ALA A 39 -3.178 -15.838 -3.092 1.00 0.26 N ATOM 600 CA ALA A 39 -3.418 -16.855 -2.030 1.00 0.13 C ATOM 601 C ALA A 39 -4.832 -16.686 -1.473 1.00 0.40 C ATOM 602 O ALA A 39 -5.319 -17.512 -0.726 1.00 1.22 O ATOM 603 CB ALA A 39 -2.400 -16.666 -0.903 1.00 0.37 C ATOM 0 H ALA A 39 -3.699 -14.967 -2.985 1.00 0.26 H new ATOM 0 HA ALA A 39 -3.311 -17.854 -2.453 1.00 0.13 H new ATOM 0 HB1 ALA A 39 -2.575 -17.410 -0.126 1.00 0.37 H new ATOM 0 HB2 ALA A 39 -1.392 -16.786 -1.299 1.00 0.37 H new ATOM 0 HB3 ALA A 39 -2.507 -15.667 -0.480 1.00 0.37 H new ATOM 609 N SER A 40 -5.498 -15.621 -1.830 1.00 0.31 N ATOM 610 CA SER A 40 -6.880 -15.401 -1.319 1.00 0.16 C ATOM 611 C SER A 40 -7.743 -16.623 -1.640 1.00 0.35 C ATOM 612 O SER A 40 -7.647 -17.200 -2.706 1.00 1.09 O ATOM 613 CB SER A 40 -7.479 -14.163 -1.989 1.00 0.23 C ATOM 614 OG SER A 40 -7.074 -14.124 -3.352 1.00 1.67 O ATOM 0 H SER A 40 -5.144 -14.895 -2.453 1.00 0.31 H new ATOM 0 HA SER A 40 -6.850 -15.252 -0.240 1.00 0.16 H new ATOM 0 HB2 SER A 40 -8.567 -14.189 -1.921 1.00 0.23 H new ATOM 0 HB3 SER A 40 -7.149 -13.261 -1.474 1.00 0.23 H new ATOM 0 HG SER A 40 -7.457 -13.333 -3.785 1.00 1.67 H new ATOM 620 N LYS A 41 -8.586 -17.021 -0.726 1.00 0.26 N ATOM 621 CA LYS A 41 -9.455 -18.205 -0.980 1.00 0.14 C ATOM 622 C LYS A 41 -10.801 -18.007 -0.280 1.00 0.40 C ATOM 623 O LYS A 41 -11.842 -18.342 -0.809 1.00 1.06 O ATOM 624 CB LYS A 41 -8.776 -19.462 -0.432 1.00 0.14 C ATOM 625 CG LYS A 41 -7.673 -19.908 -1.393 1.00 0.24 C ATOM 626 CD LYS A 41 -6.973 -21.145 -0.830 1.00 0.40 C ATOM 627 CE LYS A 41 -5.790 -20.713 0.039 1.00 1.41 C ATOM 628 NZ LYS A 41 -5.353 -21.857 0.889 1.00 2.44 N ATOM 0 H LYS A 41 -8.710 -16.578 0.184 1.00 0.26 H new ATOM 0 HA LYS A 41 -9.615 -18.316 -2.052 1.00 0.14 H new ATOM 0 HB2 LYS A 41 -8.355 -19.260 0.553 1.00 0.14 H new ATOM 0 HB3 LYS A 41 -9.509 -20.259 -0.308 1.00 0.14 H new ATOM 0 HG2 LYS A 41 -8.098 -20.132 -2.372 1.00 0.24 H new ATOM 0 HG3 LYS A 41 -6.952 -19.103 -1.535 1.00 0.24 H new ATOM 0 HD2 LYS A 41 -7.674 -21.735 -0.240 1.00 0.40 H new ATOM 0 HD3 LYS A 41 -6.626 -21.781 -1.644 1.00 0.40 H new ATOM 0 HE2 LYS A 41 -4.966 -20.378 -0.591 1.00 1.41 H new ATOM 0 HE3 LYS A 41 -6.075 -19.868 0.666 1.00 1.41 H new ATOM 0 HZ1 LYS A 41 -4.549 -21.563 1.480 1.00 2.44 H new ATOM 0 HZ2 LYS A 41 -6.140 -22.156 1.499 1.00 2.44 H new ATOM 0 HZ3 LYS A 41 -5.065 -22.651 0.282 1.00 2.44 H new ATOM 642 N ASP A 42 -10.789 -17.464 0.907 1.00 0.67 N ATOM 643 CA ASP A 42 -12.068 -17.245 1.639 1.00 0.80 C ATOM 644 C ASP A 42 -11.944 -16.004 2.524 1.00 0.73 C ATOM 645 O ASP A 42 -12.728 -15.791 3.426 1.00 0.75 O ATOM 646 CB ASP A 42 -12.372 -18.465 2.512 1.00 0.94 C ATOM 647 CG ASP A 42 -13.869 -18.776 2.453 1.00 2.60 C ATOM 648 OD1 ASP A 42 -14.607 -18.185 3.222 1.00 3.67 O ATOM 649 OD2 ASP A 42 -14.251 -19.600 1.638 1.00 3.32 O ATOM 0 H ASP A 42 -9.949 -17.163 1.401 1.00 0.67 H new ATOM 0 HA ASP A 42 -12.876 -17.100 0.922 1.00 0.80 H new ATOM 0 HB2 ASP A 42 -11.798 -19.325 2.167 1.00 0.94 H new ATOM 0 HB3 ASP A 42 -12.070 -18.273 3.542 1.00 0.94 H new ATOM 654 N THR A 43 -10.961 -15.182 2.272 1.00 0.72 N ATOM 655 CA THR A 43 -10.786 -13.954 3.099 1.00 0.71 C ATOM 656 C THR A 43 -11.657 -12.831 2.534 1.00 0.70 C ATOM 657 O THR A 43 -11.781 -12.671 1.336 1.00 0.71 O ATOM 658 CB THR A 43 -9.318 -13.525 3.070 1.00 0.73 C ATOM 659 OG1 THR A 43 -8.712 -13.996 1.873 1.00 0.45 O ATOM 660 CG2 THR A 43 -8.587 -14.113 4.277 1.00 1.32 C ATOM 0 H THR A 43 -10.272 -15.308 1.530 1.00 0.72 H new ATOM 0 HA THR A 43 -11.083 -14.162 4.127 1.00 0.71 H new ATOM 0 HB THR A 43 -9.258 -12.437 3.106 1.00 0.73 H new ATOM 0 HG1 THR A 43 -7.772 -13.720 1.852 1.00 0.45 H new ATOM 0 HG21 THR A 43 -7.541 -13.806 4.254 1.00 1.32 H new ATOM 0 HG22 THR A 43 -9.051 -13.752 5.195 1.00 1.32 H new ATOM 0 HG23 THR A 43 -8.647 -15.201 4.244 1.00 1.32 H new ATOM 668 N THR A 44 -12.262 -12.049 3.387 1.00 0.74 N ATOM 669 CA THR A 44 -13.123 -10.937 2.897 1.00 0.74 C ATOM 670 C THR A 44 -12.242 -9.777 2.431 1.00 0.53 C ATOM 671 O THR A 44 -11.148 -9.974 1.942 1.00 0.75 O ATOM 672 CB THR A 44 -14.034 -10.461 4.032 1.00 0.88 C ATOM 673 OG1 THR A 44 -13.241 -9.914 5.076 1.00 1.20 O ATOM 674 CG2 THR A 44 -14.844 -11.643 4.568 1.00 0.80 C ATOM 0 H THR A 44 -12.197 -12.133 4.401 1.00 0.74 H new ATOM 0 HA THR A 44 -13.732 -11.288 2.064 1.00 0.74 H new ATOM 0 HB THR A 44 -14.715 -9.698 3.656 1.00 0.88 H new ATOM 0 HG1 THR A 44 -13.823 -9.607 5.802 1.00 1.20 H new ATOM 0 HG21 THR A 44 -15.492 -11.303 5.376 1.00 0.80 H new ATOM 0 HG22 THR A 44 -15.452 -12.061 3.766 1.00 0.80 H new ATOM 0 HG23 THR A 44 -14.165 -12.408 4.945 1.00 0.80 H new ATOM 682 N GLU A 45 -12.711 -8.568 2.577 1.00 0.75 N ATOM 683 CA GLU A 45 -11.899 -7.397 2.141 1.00 0.54 C ATOM 684 C GLU A 45 -11.069 -6.884 3.320 1.00 0.53 C ATOM 685 O GLU A 45 -9.911 -6.544 3.175 1.00 0.34 O ATOM 686 CB GLU A 45 -12.829 -6.285 1.651 1.00 0.60 C ATOM 687 CG GLU A 45 -14.144 -6.898 1.163 1.00 0.80 C ATOM 688 CD GLU A 45 -14.991 -5.817 0.487 1.00 1.50 C ATOM 689 OE1 GLU A 45 -14.417 -4.978 -0.186 1.00 2.37 O ATOM 690 OE2 GLU A 45 -16.199 -5.849 0.655 1.00 1.79 O ATOM 0 H GLU A 45 -13.620 -8.341 2.979 1.00 0.75 H new ATOM 0 HA GLU A 45 -11.234 -7.698 1.332 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -13.022 -5.577 2.457 1.00 0.60 H new ATOM 0 HB3 GLU A 45 -12.353 -5.728 0.844 1.00 0.60 H new ATOM 0 HG2 GLU A 45 -13.942 -7.708 0.462 1.00 0.80 H new ATOM 0 HG3 GLU A 45 -14.689 -7.331 2.002 1.00 0.80 H new ATOM 697 N LYS A 46 -11.650 -6.826 4.487 1.00 0.81 N ATOM 698 CA LYS A 46 -10.893 -6.337 5.673 1.00 0.85 C ATOM 699 C LYS A 46 -9.603 -7.144 5.824 1.00 0.64 C ATOM 700 O LYS A 46 -8.540 -6.599 6.046 1.00 0.59 O ATOM 701 CB LYS A 46 -11.750 -6.504 6.930 1.00 1.14 C ATOM 702 CG LYS A 46 -12.959 -5.568 6.852 1.00 1.32 C ATOM 703 CD LYS A 46 -13.654 -5.517 8.215 1.00 0.68 C ATOM 704 CE LYS A 46 -14.094 -6.926 8.617 1.00 1.41 C ATOM 705 NZ LYS A 46 -12.993 -7.595 9.365 1.00 3.06 N ATOM 0 H LYS A 46 -12.616 -7.096 4.670 1.00 0.81 H new ATOM 0 HA LYS A 46 -10.648 -5.284 5.538 1.00 0.85 H new ATOM 0 HB2 LYS A 46 -12.083 -7.538 7.022 1.00 1.14 H new ATOM 0 HB3 LYS A 46 -11.159 -6.279 7.818 1.00 1.14 H new ATOM 0 HG2 LYS A 46 -12.640 -4.568 6.557 1.00 1.32 H new ATOM 0 HG3 LYS A 46 -13.655 -5.918 6.090 1.00 1.32 H new ATOM 0 HD2 LYS A 46 -12.977 -5.108 8.965 1.00 0.68 H new ATOM 0 HD3 LYS A 46 -14.518 -4.854 8.170 1.00 0.68 H new ATOM 0 HE2 LYS A 46 -14.990 -6.876 9.235 1.00 1.41 H new ATOM 0 HE3 LYS A 46 -14.350 -7.506 7.730 1.00 1.41 H new ATOM 0 HZ1 LYS A 46 -12.669 -8.429 8.834 1.00 3.06 H new ATOM 0 HZ2 LYS A 46 -12.201 -6.931 9.484 1.00 3.06 H new ATOM 0 HZ3 LYS A 46 -13.339 -7.893 10.300 1.00 3.06 H new ATOM 719 N GLU A 47 -9.686 -8.442 5.705 1.00 0.60 N ATOM 720 CA GLU A 47 -8.464 -9.282 5.842 1.00 0.45 C ATOM 721 C GLU A 47 -7.533 -9.024 4.655 1.00 0.28 C ATOM 722 O GLU A 47 -6.349 -9.286 4.715 1.00 0.18 O ATOM 723 CB GLU A 47 -8.861 -10.759 5.867 1.00 0.62 C ATOM 724 CG GLU A 47 -9.771 -11.024 7.069 1.00 1.02 C ATOM 725 CD GLU A 47 -9.798 -12.523 7.369 1.00 0.90 C ATOM 726 OE1 GLU A 47 -8.922 -12.979 8.086 1.00 0.88 O ATOM 727 OE2 GLU A 47 -10.693 -13.190 6.878 1.00 2.20 O ATOM 0 H GLU A 47 -10.547 -8.956 5.519 1.00 0.60 H new ATOM 0 HA GLU A 47 -7.950 -9.028 6.769 1.00 0.45 H new ATOM 0 HB2 GLU A 47 -9.375 -11.024 4.943 1.00 0.62 H new ATOM 0 HB3 GLU A 47 -7.971 -11.385 5.927 1.00 0.62 H new ATOM 0 HG2 GLU A 47 -9.411 -10.475 7.939 1.00 1.02 H new ATOM 0 HG3 GLU A 47 -10.779 -10.666 6.861 1.00 1.02 H new ATOM 734 N THR A 48 -8.060 -8.514 3.576 1.00 0.33 N ATOM 735 CA THR A 48 -7.205 -8.239 2.387 1.00 0.17 C ATOM 736 C THR A 48 -6.378 -6.976 2.633 1.00 0.16 C ATOM 737 O THR A 48 -5.164 -6.995 2.569 1.00 0.20 O ATOM 738 CB THR A 48 -8.093 -8.035 1.157 1.00 0.17 C ATOM 739 OG1 THR A 48 -9.112 -9.025 1.142 1.00 0.28 O ATOM 740 CG2 THR A 48 -7.246 -8.154 -0.112 1.00 0.10 C ATOM 0 H THR A 48 -9.046 -8.276 3.466 1.00 0.33 H new ATOM 0 HA THR A 48 -6.537 -9.083 2.218 1.00 0.17 H new ATOM 0 HB THR A 48 -8.547 -7.045 1.197 1.00 0.17 H new ATOM 0 HG1 THR A 48 -9.701 -8.900 1.915 1.00 0.28 H new ATOM 0 HG21 THR A 48 -7.879 -8.009 -0.987 1.00 0.10 H new ATOM 0 HG22 THR A 48 -6.464 -7.395 -0.100 1.00 0.10 H new ATOM 0 HG23 THR A 48 -6.791 -9.143 -0.154 1.00 0.10 H new ATOM 748 N PHE A 49 -7.023 -5.878 2.916 1.00 0.33 N ATOM 749 CA PHE A 49 -6.272 -4.616 3.167 1.00 0.42 C ATOM 750 C PHE A 49 -5.283 -4.831 4.314 1.00 0.35 C ATOM 751 O PHE A 49 -4.236 -4.217 4.366 1.00 0.37 O ATOM 752 CB PHE A 49 -7.254 -3.503 3.541 1.00 0.60 C ATOM 753 CG PHE A 49 -8.294 -3.363 2.455 1.00 0.57 C ATOM 754 CD1 PHE A 49 -7.921 -2.910 1.184 1.00 0.59 C ATOM 755 CD2 PHE A 49 -9.633 -3.684 2.718 1.00 0.59 C ATOM 756 CE1 PHE A 49 -8.883 -2.779 0.176 1.00 0.59 C ATOM 757 CE2 PHE A 49 -10.595 -3.553 1.710 1.00 0.55 C ATOM 758 CZ PHE A 49 -10.220 -3.100 0.439 1.00 0.53 C ATOM 0 H PHE A 49 -8.038 -5.800 2.984 1.00 0.33 H new ATOM 0 HA PHE A 49 -5.728 -4.332 2.266 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.735 -3.732 4.492 1.00 0.60 H new ATOM 0 HB3 PHE A 49 -6.720 -2.562 3.672 1.00 0.60 H new ATOM 0 HD1 PHE A 49 -6.890 -2.661 0.981 1.00 0.59 H new ATOM 0 HD2 PHE A 49 -9.922 -4.032 3.698 1.00 0.59 H new ATOM 0 HE1 PHE A 49 -8.594 -2.430 -0.804 1.00 0.59 H new ATOM 0 HE2 PHE A 49 -11.626 -3.801 1.912 1.00 0.55 H new ATOM 0 HZ PHE A 49 -10.963 -2.998 -0.339 1.00 0.53 H new ATOM 768 N CYS A 50 -5.606 -5.698 5.235 1.00 0.31 N ATOM 769 CA CYS A 50 -4.682 -5.951 6.376 1.00 0.26 C ATOM 770 C CYS A 50 -3.397 -6.598 5.859 1.00 0.16 C ATOM 771 O CYS A 50 -2.314 -6.078 6.035 1.00 0.14 O ATOM 772 CB CYS A 50 -5.358 -6.888 7.380 1.00 0.30 C ATOM 773 SG CYS A 50 -4.092 -7.761 8.335 1.00 0.20 S ATOM 0 H CYS A 50 -6.469 -6.241 5.246 1.00 0.31 H new ATOM 0 HA CYS A 50 -4.441 -5.007 6.865 1.00 0.26 H new ATOM 0 HB2 CYS A 50 -6.004 -6.318 8.048 1.00 0.30 H new ATOM 0 HB3 CYS A 50 -5.992 -7.604 6.856 1.00 0.30 H new ATOM 778 N ARG A 51 -3.507 -7.731 5.221 1.00 0.16 N ATOM 779 CA ARG A 51 -2.291 -8.411 4.693 1.00 0.07 C ATOM 780 C ARG A 51 -1.447 -7.406 3.906 1.00 0.15 C ATOM 781 O ARG A 51 -0.241 -7.347 4.050 1.00 0.20 O ATOM 782 CB ARG A 51 -2.707 -9.559 3.771 1.00 0.08 C ATOM 783 CG ARG A 51 -3.355 -10.671 4.599 1.00 0.14 C ATOM 784 CD ARG A 51 -3.847 -11.781 3.668 1.00 0.34 C ATOM 785 NE ARG A 51 -3.125 -13.047 3.979 1.00 0.64 N ATOM 786 CZ ARG A 51 -3.577 -14.184 3.528 1.00 0.78 C ATOM 787 NH1 ARG A 51 -4.664 -14.214 2.805 1.00 0.55 N ATOM 788 NH2 ARG A 51 -2.944 -15.293 3.800 1.00 1.59 N ATOM 0 H ARG A 51 -4.387 -8.215 5.043 1.00 0.16 H new ATOM 0 HA ARG A 51 -1.706 -8.806 5.524 1.00 0.07 H new ATOM 0 HB2 ARG A 51 -3.406 -9.198 3.017 1.00 0.08 H new ATOM 0 HB3 ARG A 51 -1.837 -9.946 3.240 1.00 0.08 H new ATOM 0 HG2 ARG A 51 -2.636 -11.073 5.313 1.00 0.14 H new ATOM 0 HG3 ARG A 51 -4.188 -10.270 5.176 1.00 0.14 H new ATOM 0 HD2 ARG A 51 -4.921 -11.923 3.790 1.00 0.34 H new ATOM 0 HD3 ARG A 51 -3.678 -11.500 2.628 1.00 0.34 H new ATOM 0 HE ARG A 51 -2.277 -13.024 4.545 1.00 0.64 H new ATOM 0 HH11 ARG A 51 -5.160 -13.348 2.593 1.00 0.55 H new ATOM 0 HH12 ARG A 51 -5.017 -15.103 2.452 1.00 0.55 H new ATOM 0 HH21 ARG A 51 -2.095 -15.270 4.366 1.00 1.59 H new ATOM 0 HH22 ARG A 51 -3.298 -16.182 3.447 1.00 1.59 H new ATOM 802 N ALA A 52 -2.069 -6.615 3.077 1.00 0.24 N ATOM 803 CA ALA A 52 -1.301 -5.614 2.284 1.00 0.34 C ATOM 804 C ALA A 52 -0.600 -4.640 3.232 1.00 0.25 C ATOM 805 O ALA A 52 0.456 -4.118 2.932 1.00 0.27 O ATOM 806 CB ALA A 52 -2.259 -4.841 1.374 1.00 0.48 C ATOM 0 H ALA A 52 -3.076 -6.618 2.914 1.00 0.24 H new ATOM 0 HA ALA A 52 -0.556 -6.127 1.676 1.00 0.34 H new ATOM 0 HB1 ALA A 52 -1.698 -4.109 0.794 1.00 0.48 H new ATOM 0 HB2 ALA A 52 -2.758 -5.535 0.698 1.00 0.48 H new ATOM 0 HB3 ALA A 52 -3.004 -4.328 1.982 1.00 0.48 H new ATOM 812 N ALA A 53 -1.178 -4.392 4.376 1.00 0.35 N ATOM 813 CA ALA A 53 -0.543 -3.451 5.342 1.00 0.29 C ATOM 814 C ALA A 53 0.664 -4.129 5.995 1.00 0.30 C ATOM 815 O ALA A 53 1.753 -3.593 6.015 1.00 0.26 O ATOM 816 CB ALA A 53 -1.557 -3.065 6.420 1.00 0.27 C ATOM 0 H ALA A 53 -2.061 -4.800 4.683 1.00 0.35 H new ATOM 0 HA ALA A 53 -0.215 -2.555 4.815 1.00 0.29 H new ATOM 0 HB1 ALA A 53 -1.093 -2.377 7.126 1.00 0.27 H new ATOM 0 HB2 ALA A 53 -2.417 -2.582 5.955 1.00 0.27 H new ATOM 0 HB3 ALA A 53 -1.885 -3.960 6.948 1.00 0.27 H new ATOM 822 N THR A 54 0.477 -5.305 6.530 1.00 0.37 N ATOM 823 CA THR A 54 1.614 -6.015 7.181 1.00 0.41 C ATOM 824 C THR A 54 2.835 -5.972 6.261 1.00 0.42 C ATOM 825 O THR A 54 3.949 -5.768 6.701 1.00 0.43 O ATOM 826 CB THR A 54 1.222 -7.472 7.441 1.00 0.51 C ATOM 827 OG1 THR A 54 -0.015 -7.512 8.138 1.00 0.52 O ATOM 828 CG2 THR A 54 2.305 -8.152 8.281 1.00 0.56 C ATOM 0 H THR A 54 -0.413 -5.804 6.544 1.00 0.37 H new ATOM 0 HA THR A 54 1.854 -5.528 8.126 1.00 0.41 H new ATOM 0 HB THR A 54 1.120 -7.995 6.490 1.00 0.51 H new ATOM 0 HG1 THR A 54 -0.267 -8.444 8.303 1.00 0.52 H new ATOM 0 HG21 THR A 54 2.025 -9.189 8.465 1.00 0.56 H new ATOM 0 HG22 THR A 54 3.254 -8.122 7.745 1.00 0.56 H new ATOM 0 HG23 THR A 54 2.409 -7.630 9.232 1.00 0.56 H new ATOM 836 N VAL A 55 2.635 -6.160 4.985 1.00 0.43 N ATOM 837 CA VAL A 55 3.784 -6.128 4.037 1.00 0.44 C ATOM 838 C VAL A 55 4.333 -4.703 3.950 1.00 0.35 C ATOM 839 O VAL A 55 5.459 -4.436 4.322 1.00 0.35 O ATOM 840 CB VAL A 55 3.316 -6.579 2.653 1.00 0.52 C ATOM 841 CG1 VAL A 55 4.463 -6.435 1.653 1.00 0.46 C ATOM 842 CG2 VAL A 55 2.878 -8.045 2.717 1.00 0.66 C ATOM 0 H VAL A 55 1.725 -6.334 4.558 1.00 0.43 H new ATOM 0 HA VAL A 55 4.567 -6.798 4.392 1.00 0.44 H new ATOM 0 HB VAL A 55 2.477 -5.960 2.334 1.00 0.52 H new ATOM 0 HG11 VAL A 55 4.128 -6.757 0.667 1.00 0.46 H new ATOM 0 HG12 VAL A 55 4.777 -5.392 1.607 1.00 0.46 H new ATOM 0 HG13 VAL A 55 5.303 -7.053 1.971 1.00 0.46 H new ATOM 0 HG21 VAL A 55 2.544 -8.368 1.731 1.00 0.66 H new ATOM 0 HG22 VAL A 55 3.718 -8.662 3.036 1.00 0.66 H new ATOM 0 HG23 VAL A 55 2.060 -8.150 3.430 1.00 0.66 H new ATOM 852 N LEU A 56 3.546 -3.784 3.461 1.00 0.31 N ATOM 853 CA LEU A 56 4.021 -2.376 3.351 1.00 0.27 C ATOM 854 C LEU A 56 4.674 -1.960 4.671 1.00 0.14 C ATOM 855 O LEU A 56 5.572 -1.143 4.701 1.00 0.10 O ATOM 856 CB LEU A 56 2.833 -1.454 3.057 1.00 0.30 C ATOM 857 CG LEU A 56 2.145 -1.885 1.755 1.00 0.44 C ATOM 858 CD1 LEU A 56 0.717 -1.337 1.733 1.00 0.69 C ATOM 859 CD2 LEU A 56 2.909 -1.335 0.542 1.00 0.22 C ATOM 0 H LEU A 56 2.594 -3.948 3.133 1.00 0.31 H new ATOM 0 HA LEU A 56 4.747 -2.298 2.541 1.00 0.27 H new ATOM 0 HB2 LEU A 56 2.122 -1.489 3.883 1.00 0.30 H new ATOM 0 HB3 LEU A 56 3.175 -0.422 2.973 1.00 0.30 H new ATOM 0 HG LEU A 56 2.131 -2.974 1.707 1.00 0.44 H new ATOM 0 HD11 LEU A 56 0.225 -1.641 0.809 1.00 0.69 H new ATOM 0 HD12 LEU A 56 0.163 -1.730 2.586 1.00 0.69 H new ATOM 0 HD13 LEU A 56 0.744 -0.249 1.788 1.00 0.69 H new ATOM 0 HD21 LEU A 56 2.410 -1.648 -0.375 1.00 0.22 H new ATOM 0 HD22 LEU A 56 2.931 -0.246 0.589 1.00 0.22 H new ATOM 0 HD23 LEU A 56 3.929 -1.719 0.550 1.00 0.22 H new ATOM 871 N ARG A 57 4.230 -2.516 5.764 1.00 0.11 N ATOM 872 CA ARG A 57 4.829 -2.153 7.079 1.00 0.13 C ATOM 873 C ARG A 57 6.302 -2.563 7.098 1.00 0.20 C ATOM 874 O ARG A 57 7.184 -1.741 7.247 1.00 0.24 O ATOM 875 CB ARG A 57 4.081 -2.880 8.198 1.00 0.20 C ATOM 876 CG ARG A 57 4.517 -2.319 9.553 1.00 0.44 C ATOM 877 CD ARG A 57 4.729 -3.469 10.539 1.00 1.22 C ATOM 878 NE ARG A 57 3.488 -4.290 10.619 1.00 1.15 N ATOM 879 CZ ARG A 57 3.525 -5.478 11.157 1.00 1.93 C ATOM 880 NH1 ARG A 57 4.650 -5.948 11.624 1.00 2.76 N ATOM 881 NH2 ARG A 57 2.439 -6.197 11.227 1.00 2.84 N ATOM 0 H ARG A 57 3.479 -3.205 5.804 1.00 0.11 H new ATOM 0 HA ARG A 57 4.750 -1.076 7.230 1.00 0.13 H new ATOM 0 HB2 ARG A 57 3.006 -2.757 8.071 1.00 0.20 H new ATOM 0 HB3 ARG A 57 4.287 -3.949 8.152 1.00 0.20 H new ATOM 0 HG2 ARG A 57 5.438 -1.747 9.442 1.00 0.44 H new ATOM 0 HG3 ARG A 57 3.760 -1.634 9.935 1.00 0.44 H new ATOM 0 HD2 ARG A 57 5.567 -4.088 10.218 1.00 1.22 H new ATOM 0 HD3 ARG A 57 4.982 -3.076 11.524 1.00 1.22 H new ATOM 0 HE ARG A 57 2.609 -3.923 10.253 1.00 1.15 H new ATOM 0 HH11 ARG A 57 5.500 -5.386 11.568 1.00 2.76 H new ATOM 0 HH12 ARG A 57 4.679 -6.877 12.045 1.00 2.76 H new ATOM 0 HH21 ARG A 57 1.560 -5.831 10.861 1.00 2.84 H new ATOM 0 HH22 ARG A 57 2.468 -7.126 11.648 1.00 2.84 H new ATOM 895 N GLN A 58 6.575 -3.831 6.948 1.00 0.23 N ATOM 896 CA GLN A 58 7.992 -4.295 6.959 1.00 0.30 C ATOM 897 C GLN A 58 8.712 -3.778 5.712 1.00 0.25 C ATOM 898 O GLN A 58 9.892 -4.006 5.528 1.00 0.28 O ATOM 899 CB GLN A 58 8.026 -5.824 6.969 1.00 0.40 C ATOM 900 CG GLN A 58 7.182 -6.362 5.812 1.00 0.41 C ATOM 901 CD GLN A 58 7.214 -7.891 5.822 1.00 0.83 C ATOM 902 OE1 GLN A 58 6.190 -8.533 5.692 1.00 1.53 O ATOM 903 NE2 GLN A 58 8.354 -8.507 5.975 1.00 1.47 N ATOM 0 H GLN A 58 5.879 -4.565 6.818 1.00 0.23 H new ATOM 0 HA GLN A 58 8.491 -3.912 7.849 1.00 0.30 H new ATOM 0 HB2 GLN A 58 9.054 -6.176 6.878 1.00 0.40 H new ATOM 0 HB3 GLN A 58 7.643 -6.200 7.918 1.00 0.40 H new ATOM 0 HG2 GLN A 58 6.155 -6.009 5.903 1.00 0.41 H new ATOM 0 HG3 GLN A 58 7.565 -5.986 4.863 1.00 0.41 H new ATOM 0 HE21 GLN A 58 9.214 -7.969 6.084 1.00 1.47 H new ATOM 0 HE22 GLN A 58 8.385 -9.526 5.985 1.00 1.47 H new ATOM 912 N PHE A 59 8.016 -3.087 4.851 1.00 0.18 N ATOM 913 CA PHE A 59 8.668 -2.564 3.617 1.00 0.17 C ATOM 914 C PHE A 59 9.374 -1.240 3.923 1.00 0.12 C ATOM 915 O PHE A 59 10.586 -1.155 3.911 1.00 0.12 O ATOM 916 CB PHE A 59 7.610 -2.337 2.536 1.00 0.20 C ATOM 917 CG PHE A 59 8.288 -1.967 1.239 1.00 0.25 C ATOM 918 CD1 PHE A 59 8.826 -2.967 0.419 1.00 0.35 C ATOM 919 CD2 PHE A 59 8.379 -0.623 0.855 1.00 0.23 C ATOM 920 CE1 PHE A 59 9.454 -2.623 -0.784 1.00 0.40 C ATOM 921 CE2 PHE A 59 9.008 -0.280 -0.348 1.00 0.30 C ATOM 922 CZ PHE A 59 9.546 -1.279 -1.168 1.00 0.36 C ATOM 0 H PHE A 59 7.026 -2.862 4.948 1.00 0.18 H new ATOM 0 HA PHE A 59 9.401 -3.290 3.265 1.00 0.17 H new ATOM 0 HB2 PHE A 59 7.012 -3.239 2.402 1.00 0.20 H new ATOM 0 HB3 PHE A 59 6.927 -1.544 2.841 1.00 0.20 H new ATOM 0 HD1 PHE A 59 8.756 -4.003 0.715 1.00 0.35 H new ATOM 0 HD2 PHE A 59 7.964 0.149 1.487 1.00 0.23 H new ATOM 0 HE1 PHE A 59 9.868 -3.394 -1.416 1.00 0.40 H new ATOM 0 HE2 PHE A 59 9.078 0.756 -0.644 1.00 0.30 H new ATOM 0 HZ PHE A 59 10.031 -1.014 -2.096 1.00 0.36 H new ATOM 932 N TYR A 60 8.626 -0.203 4.189 1.00 0.11 N ATOM 933 CA TYR A 60 9.259 1.115 4.484 1.00 0.11 C ATOM 934 C TYR A 60 9.843 1.108 5.899 1.00 0.15 C ATOM 935 O TYR A 60 10.548 2.017 6.291 1.00 0.22 O ATOM 936 CB TYR A 60 8.211 2.225 4.368 1.00 0.14 C ATOM 937 CG TYR A 60 7.140 2.025 5.414 1.00 0.14 C ATOM 938 CD1 TYR A 60 7.362 2.436 6.734 1.00 0.16 C ATOM 939 CD2 TYR A 60 5.924 1.429 5.062 1.00 0.15 C ATOM 940 CE1 TYR A 60 6.367 2.250 7.702 1.00 0.17 C ATOM 941 CE2 TYR A 60 4.929 1.244 6.030 1.00 0.15 C ATOM 942 CZ TYR A 60 5.151 1.655 7.350 1.00 0.15 C ATOM 943 OH TYR A 60 4.171 1.472 8.304 1.00 0.16 O ATOM 0 H TYR A 60 7.606 -0.211 4.215 1.00 0.11 H new ATOM 0 HA TYR A 60 10.060 1.295 3.767 1.00 0.11 H new ATOM 0 HB2 TYR A 60 8.683 3.199 4.498 1.00 0.14 H new ATOM 0 HB3 TYR A 60 7.767 2.217 3.373 1.00 0.14 H new ATOM 0 HD1 TYR A 60 8.300 2.896 7.006 1.00 0.16 H new ATOM 0 HD2 TYR A 60 5.753 1.112 4.044 1.00 0.15 H new ATOM 0 HE1 TYR A 60 6.539 2.566 8.720 1.00 0.17 H new ATOM 0 HE2 TYR A 60 3.990 0.784 5.758 1.00 0.15 H new ATOM 0 HH TYR A 60 3.608 0.710 8.053 1.00 0.16 H new ATOM 953 N SER A 61 9.558 0.097 6.672 1.00 0.17 N ATOM 954 CA SER A 61 10.102 0.047 8.059 1.00 0.25 C ATOM 955 C SER A 61 11.491 -0.594 8.042 1.00 0.23 C ATOM 956 O SER A 61 12.382 -0.188 8.761 1.00 0.23 O ATOM 957 CB SER A 61 9.170 -0.778 8.947 1.00 0.34 C ATOM 958 OG SER A 61 7.868 -0.209 8.917 1.00 0.34 O ATOM 0 H SER A 61 8.974 -0.695 6.405 1.00 0.17 H new ATOM 0 HA SER A 61 10.175 1.060 8.454 1.00 0.25 H new ATOM 0 HB2 SER A 61 9.136 -1.810 8.599 1.00 0.34 H new ATOM 0 HB3 SER A 61 9.547 -0.799 9.970 1.00 0.34 H new ATOM 0 HG SER A 61 7.434 -0.430 8.067 1.00 0.34 H new ATOM 964 N HIS A 62 11.684 -1.595 7.227 1.00 0.22 N ATOM 965 CA HIS A 62 13.016 -2.260 7.168 1.00 0.22 C ATOM 966 C HIS A 62 13.887 -1.569 6.115 1.00 0.21 C ATOM 967 O HIS A 62 15.092 -1.495 6.244 1.00 0.23 O ATOM 968 CB HIS A 62 12.836 -3.733 6.792 1.00 0.22 C ATOM 969 CG HIS A 62 12.192 -4.467 7.935 1.00 0.41 C ATOM 970 ND1 HIS A 62 10.879 -4.909 7.884 1.00 1.38 N ATOM 971 CD2 HIS A 62 12.666 -4.844 9.168 1.00 0.93 C ATOM 972 CE1 HIS A 62 10.611 -5.520 9.052 1.00 1.35 C ATOM 973 NE2 HIS A 62 11.666 -5.508 9.871 1.00 0.74 N ATOM 0 H HIS A 62 10.978 -1.980 6.600 1.00 0.22 H new ATOM 0 HA HIS A 62 13.499 -2.190 8.143 1.00 0.22 H new ATOM 0 HB2 HIS A 62 12.219 -3.818 5.897 1.00 0.22 H new ATOM 0 HB3 HIS A 62 13.802 -4.180 6.557 1.00 0.22 H new ATOM 0 HD2 HIS A 62 13.663 -4.654 9.536 1.00 0.93 H new ATOM 0 HE1 HIS A 62 9.659 -5.966 9.298 1.00 1.35 H new ATOM 0 HE2 HIS A 62 11.726 -5.901 10.810 1.00 0.74 H new ATOM 981 N HIS A 63 13.285 -1.065 5.073 1.00 0.23 N ATOM 982 CA HIS A 63 14.080 -0.381 4.013 1.00 0.22 C ATOM 983 C HIS A 63 14.519 0.997 4.514 1.00 0.22 C ATOM 984 O HIS A 63 15.655 1.395 4.343 1.00 0.21 O ATOM 985 CB HIS A 63 13.221 -0.218 2.758 1.00 0.22 C ATOM 986 CG HIS A 63 12.976 -1.566 2.140 1.00 0.21 C ATOM 987 ND1 HIS A 63 13.991 -2.494 1.965 1.00 0.26 N ATOM 988 CD2 HIS A 63 11.838 -2.159 1.650 1.00 0.22 C ATOM 989 CE1 HIS A 63 13.450 -3.585 1.394 1.00 0.24 C ATOM 990 NE2 HIS A 63 12.140 -3.434 1.179 1.00 0.21 N ATOM 0 H HIS A 63 12.279 -1.097 4.909 1.00 0.23 H new ATOM 0 HA HIS A 63 14.960 -0.978 3.776 1.00 0.22 H new ATOM 0 HB2 HIS A 63 12.273 0.255 3.012 1.00 0.22 H new ATOM 0 HB3 HIS A 63 13.722 0.436 2.044 1.00 0.22 H new ATOM 0 HD2 HIS A 63 10.858 -1.705 1.633 1.00 0.22 H new ATOM 0 HE1 HIS A 63 14.007 -4.475 1.140 1.00 0.24 H new ATOM 0 HE2 HIS A 63 11.499 -4.108 0.760 1.00 0.21 H new ATOM 998 N GLU A 64 13.631 1.726 5.131 1.00 0.25 N ATOM 999 CA GLU A 64 14.000 3.077 5.641 1.00 0.25 C ATOM 1000 C GLU A 64 15.326 2.990 6.401 1.00 0.23 C ATOM 1001 O GLU A 64 16.042 3.963 6.531 1.00 0.26 O ATOM 1002 CB GLU A 64 12.905 3.584 6.582 1.00 0.31 C ATOM 1003 CG GLU A 64 13.411 4.813 7.341 1.00 0.42 C ATOM 1004 CD GLU A 64 12.220 5.605 7.881 1.00 0.84 C ATOM 1005 OE1 GLU A 64 11.327 4.989 8.441 1.00 1.69 O ATOM 1006 OE2 GLU A 64 12.219 6.816 7.726 1.00 1.93 O ATOM 0 H GLU A 64 12.666 1.445 5.304 1.00 0.25 H new ATOM 0 HA GLU A 64 14.106 3.766 4.803 1.00 0.25 H new ATOM 0 HB2 GLU A 64 12.011 3.838 6.013 1.00 0.31 H new ATOM 0 HB3 GLU A 64 12.623 2.800 7.285 1.00 0.31 H new ATOM 0 HG2 GLU A 64 14.059 4.505 8.162 1.00 0.42 H new ATOM 0 HG3 GLU A 64 14.009 5.441 6.681 1.00 0.42 H new ATOM 1013 N LYS A 65 15.657 1.832 6.904 1.00 0.23 N ATOM 1014 CA LYS A 65 16.936 1.685 7.654 1.00 0.28 C ATOM 1015 C LYS A 65 18.043 1.249 6.694 1.00 0.30 C ATOM 1016 O LYS A 65 19.174 1.682 6.797 1.00 0.47 O ATOM 1017 CB LYS A 65 16.765 0.630 8.749 1.00 0.35 C ATOM 1018 CG LYS A 65 16.422 1.317 10.072 1.00 0.93 C ATOM 1019 CD LYS A 65 15.147 2.145 9.904 1.00 1.59 C ATOM 1020 CE LYS A 65 14.429 2.257 11.250 1.00 1.41 C ATOM 1021 NZ LYS A 65 15.344 2.874 12.251 1.00 2.30 N ATOM 0 H LYS A 65 15.098 0.982 6.828 1.00 0.23 H new ATOM 0 HA LYS A 65 17.204 2.639 8.107 1.00 0.28 H new ATOM 0 HB2 LYS A 65 15.975 -0.069 8.475 1.00 0.35 H new ATOM 0 HB3 LYS A 65 17.681 0.050 8.856 1.00 0.35 H new ATOM 0 HG2 LYS A 65 16.283 0.572 10.855 1.00 0.93 H new ATOM 0 HG3 LYS A 65 17.246 1.959 10.385 1.00 0.93 H new ATOM 0 HD2 LYS A 65 15.393 3.138 9.527 1.00 1.59 H new ATOM 0 HD3 LYS A 65 14.492 1.678 9.168 1.00 1.59 H new ATOM 0 HE2 LYS A 65 13.528 2.861 11.144 1.00 1.41 H new ATOM 0 HE3 LYS A 65 14.114 1.270 11.589 1.00 1.41 H new ATOM 0 HZ1 LYS A 65 14.789 3.229 13.056 1.00 2.30 H new ATOM 0 HZ2 LYS A 65 16.024 2.161 12.586 1.00 2.30 H new ATOM 0 HZ3 LYS A 65 15.859 3.663 11.811 1.00 2.30 H new ATOM 1035 N ASP A 66 17.729 0.395 5.759 1.00 0.19 N ATOM 1036 CA ASP A 66 18.763 -0.068 4.792 1.00 0.20 C ATOM 1037 C ASP A 66 19.196 1.105 3.909 1.00 0.17 C ATOM 1038 O ASP A 66 18.402 1.951 3.552 1.00 0.14 O ATOM 1039 CB ASP A 66 18.184 -1.180 3.916 1.00 0.19 C ATOM 1040 CG ASP A 66 19.319 -2.062 3.393 1.00 0.74 C ATOM 1041 OD1 ASP A 66 20.197 -1.533 2.732 1.00 1.86 O ATOM 1042 OD2 ASP A 66 19.290 -3.252 3.661 1.00 0.63 O ATOM 0 H ASP A 66 16.800 -0.003 5.623 1.00 0.19 H new ATOM 0 HA ASP A 66 19.625 -0.450 5.338 1.00 0.20 H new ATOM 0 HB2 ASP A 66 17.479 -1.780 4.491 1.00 0.19 H new ATOM 0 HB3 ASP A 66 17.630 -0.749 3.082 1.00 0.19 H new ATOM 1047 N THR A 67 20.450 1.161 3.552 1.00 0.21 N ATOM 1048 CA THR A 67 20.931 2.278 2.692 1.00 0.22 C ATOM 1049 C THR A 67 20.825 1.873 1.220 1.00 0.24 C ATOM 1050 O THR A 67 21.734 2.080 0.443 1.00 0.25 O ATOM 1051 CB THR A 67 22.391 2.592 3.031 1.00 0.27 C ATOM 1052 OG1 THR A 67 23.176 1.421 2.856 1.00 0.19 O ATOM 1053 CG2 THR A 67 22.490 3.063 4.482 1.00 0.68 C ATOM 0 H THR A 67 21.162 0.481 3.819 1.00 0.21 H new ATOM 0 HA THR A 67 20.318 3.162 2.870 1.00 0.22 H new ATOM 0 HB THR A 67 22.758 3.379 2.372 1.00 0.27 H new ATOM 0 HG1 THR A 67 24.111 1.619 3.071 1.00 0.19 H new ATOM 0 HG21 THR A 67 23.530 3.286 4.722 1.00 0.68 H new ATOM 0 HG22 THR A 67 21.886 3.961 4.615 1.00 0.68 H new ATOM 0 HG23 THR A 67 22.125 2.279 5.145 1.00 0.68 H new ATOM 1061 N ARG A 68 19.719 1.297 0.833 1.00 0.26 N ATOM 1062 CA ARG A 68 19.551 0.877 -0.587 1.00 0.29 C ATOM 1063 C ARG A 68 18.812 1.971 -1.362 1.00 0.29 C ATOM 1064 O ARG A 68 19.312 2.501 -2.334 1.00 0.33 O ATOM 1065 CB ARG A 68 18.741 -0.420 -0.642 1.00 0.30 C ATOM 1066 CG ARG A 68 19.652 -1.606 -0.315 1.00 0.46 C ATOM 1067 CD ARG A 68 20.192 -2.207 -1.614 1.00 1.09 C ATOM 1068 NE ARG A 68 21.422 -2.996 -1.322 1.00 1.28 N ATOM 1069 CZ ARG A 68 21.885 -3.835 -2.208 1.00 1.52 C ATOM 1070 NH1 ARG A 68 21.271 -3.983 -3.350 1.00 1.64 N ATOM 1071 NH2 ARG A 68 22.962 -4.526 -1.952 1.00 1.95 N ATOM 0 H ARG A 68 18.924 1.099 1.440 1.00 0.26 H new ATOM 0 HA ARG A 68 20.531 0.715 -1.035 1.00 0.29 H new ATOM 0 HB2 ARG A 68 17.915 -0.376 0.068 1.00 0.30 H new ATOM 0 HB3 ARG A 68 18.304 -0.546 -1.632 1.00 0.30 H new ATOM 0 HG2 ARG A 68 20.477 -1.281 0.318 1.00 0.46 H new ATOM 0 HG3 ARG A 68 19.099 -2.360 0.245 1.00 0.46 H new ATOM 0 HD2 ARG A 68 19.438 -2.846 -2.073 1.00 1.09 H new ATOM 0 HD3 ARG A 68 20.416 -1.415 -2.328 1.00 1.09 H new ATOM 0 HE ARG A 68 21.902 -2.880 -0.430 1.00 1.28 H new ATOM 0 HH11 ARG A 68 20.429 -3.443 -3.550 1.00 1.64 H new ATOM 0 HH12 ARG A 68 21.633 -4.639 -4.042 1.00 1.64 H new ATOM 0 HH21 ARG A 68 23.442 -4.410 -1.059 1.00 1.95 H new ATOM 0 HH22 ARG A 68 23.324 -5.182 -2.644 1.00 1.95 H new ATOM 1085 N CYS A 69 17.625 2.309 -0.941 1.00 0.26 N ATOM 1086 CA CYS A 69 16.853 3.366 -1.655 1.00 0.26 C ATOM 1087 C CYS A 69 17.209 4.739 -1.081 1.00 0.21 C ATOM 1088 O CYS A 69 16.498 5.705 -1.273 1.00 0.21 O ATOM 1089 CB CYS A 69 15.356 3.109 -1.476 1.00 0.29 C ATOM 1090 SG CYS A 69 15.056 1.327 -1.387 1.00 0.19 S ATOM 0 H CYS A 69 17.156 1.899 -0.133 1.00 0.26 H new ATOM 0 HA CYS A 69 17.102 3.344 -2.716 1.00 0.26 H new ATOM 0 HB2 CYS A 69 14.999 3.594 -0.568 1.00 0.29 H new ATOM 0 HB3 CYS A 69 14.800 3.541 -2.308 1.00 0.29 H new ATOM 1095 N LEU A 70 18.306 4.834 -0.381 1.00 0.26 N ATOM 1096 CA LEU A 70 18.706 6.147 0.202 1.00 0.23 C ATOM 1097 C LEU A 70 19.638 6.872 -0.771 1.00 0.34 C ATOM 1098 O LEU A 70 19.505 8.056 -1.008 1.00 0.44 O ATOM 1099 CB LEU A 70 19.435 5.916 1.530 1.00 0.18 C ATOM 1100 CG LEU A 70 18.417 5.789 2.671 1.00 0.26 C ATOM 1101 CD1 LEU A 70 19.131 5.328 3.943 1.00 0.15 C ATOM 1102 CD2 LEU A 70 17.741 7.142 2.936 1.00 0.38 C ATOM 0 H LEU A 70 18.942 4.061 -0.187 1.00 0.26 H new ATOM 0 HA LEU A 70 17.817 6.754 0.376 1.00 0.23 H new ATOM 0 HB2 LEU A 70 20.041 5.012 1.470 1.00 0.18 H new ATOM 0 HB3 LEU A 70 20.116 6.743 1.729 1.00 0.18 H new ATOM 0 HG LEU A 70 17.658 5.061 2.385 1.00 0.26 H new ATOM 0 HD11 LEU A 70 18.408 5.238 4.754 1.00 0.15 H new ATOM 0 HD12 LEU A 70 19.601 4.360 3.766 1.00 0.15 H new ATOM 0 HD13 LEU A 70 19.894 6.057 4.217 1.00 0.15 H new ATOM 0 HD21 LEU A 70 17.021 7.036 3.748 1.00 0.38 H new ATOM 0 HD22 LEU A 70 18.496 7.878 3.214 1.00 0.38 H new ATOM 0 HD23 LEU A 70 17.225 7.474 2.035 1.00 0.38 H new ATOM 1114 N GLY A 71 20.582 6.170 -1.338 1.00 0.39 N ATOM 1115 CA GLY A 71 21.521 6.821 -2.295 1.00 0.48 C ATOM 1116 C GLY A 71 22.527 7.676 -1.524 1.00 0.42 C ATOM 1117 O GLY A 71 22.705 7.516 -0.332 1.00 0.47 O ATOM 0 H GLY A 71 20.743 5.175 -1.180 1.00 0.39 H new ATOM 0 HA2 GLY A 71 22.044 6.064 -2.879 1.00 0.48 H new ATOM 0 HA3 GLY A 71 20.967 7.441 -3.000 1.00 0.48 H new ATOM 1121 N ALA A 72 23.187 8.581 -2.197 1.00 0.37 N ATOM 1122 CA ALA A 72 24.188 9.451 -1.511 1.00 0.32 C ATOM 1123 C ALA A 72 24.062 10.887 -2.030 1.00 0.37 C ATOM 1124 O ALA A 72 24.783 11.771 -1.613 1.00 0.68 O ATOM 1125 CB ALA A 72 25.597 8.929 -1.797 1.00 0.25 C ATOM 0 H ALA A 72 23.076 8.756 -3.196 1.00 0.37 H new ATOM 0 HA ALA A 72 24.004 9.436 -0.437 1.00 0.32 H new ATOM 0 HB1 ALA A 72 26.329 9.563 -1.297 1.00 0.25 H new ATOM 0 HB2 ALA A 72 25.689 7.908 -1.427 1.00 0.25 H new ATOM 0 HB3 ALA A 72 25.779 8.943 -2.872 1.00 0.25 H new ATOM 1131 N THR A 73 23.153 11.127 -2.935 1.00 0.48 N ATOM 1132 CA THR A 73 22.987 12.506 -3.475 1.00 0.45 C ATOM 1133 C THR A 73 21.977 13.271 -2.617 1.00 0.50 C ATOM 1134 O THR A 73 21.398 12.733 -1.694 1.00 0.54 O ATOM 1135 CB THR A 73 22.478 12.431 -4.917 1.00 0.44 C ATOM 1136 OG1 THR A 73 22.816 11.167 -5.471 1.00 0.88 O ATOM 1137 CG2 THR A 73 23.122 13.544 -5.746 1.00 1.39 C ATOM 0 H THR A 73 22.519 10.429 -3.323 1.00 0.48 H new ATOM 0 HA THR A 73 23.947 13.023 -3.455 1.00 0.45 H new ATOM 0 HB THR A 73 21.395 12.555 -4.928 1.00 0.44 H new ATOM 0 HG1 THR A 73 22.489 11.116 -6.394 1.00 0.88 H new ATOM 0 HG21 THR A 73 22.759 13.490 -6.772 1.00 1.39 H new ATOM 0 HG22 THR A 73 22.861 14.513 -5.320 1.00 1.39 H new ATOM 0 HG23 THR A 73 24.205 13.424 -5.737 1.00 1.39 H new ATOM 1145 N ALA A 74 21.762 14.524 -2.914 1.00 0.55 N ATOM 1146 CA ALA A 74 20.789 15.322 -2.115 1.00 0.66 C ATOM 1147 C ALA A 74 19.395 15.195 -2.732 1.00 0.57 C ATOM 1148 O ALA A 74 18.393 15.341 -2.062 1.00 0.64 O ATOM 1149 CB ALA A 74 21.215 16.791 -2.113 1.00 0.82 C ATOM 0 H ALA A 74 22.217 15.029 -3.674 1.00 0.55 H new ATOM 0 HA ALA A 74 20.767 14.949 -1.091 1.00 0.66 H new ATOM 0 HB1 ALA A 74 20.504 17.375 -1.529 1.00 0.82 H new ATOM 0 HB2 ALA A 74 22.208 16.881 -1.672 1.00 0.82 H new ATOM 0 HB3 ALA A 74 21.237 17.165 -3.137 1.00 0.82 H new ATOM 1155 N GLN A 75 19.324 14.923 -4.007 1.00 0.46 N ATOM 1156 CA GLN A 75 17.994 14.788 -4.665 1.00 0.48 C ATOM 1157 C GLN A 75 17.380 13.434 -4.302 1.00 0.35 C ATOM 1158 O GLN A 75 16.176 13.290 -4.223 1.00 0.50 O ATOM 1159 CB GLN A 75 18.164 14.880 -6.184 1.00 0.52 C ATOM 1160 CG GLN A 75 19.210 13.863 -6.646 1.00 0.26 C ATOM 1161 CD GLN A 75 19.339 13.918 -8.169 1.00 0.97 C ATOM 1162 OE1 GLN A 75 18.543 13.337 -8.879 1.00 2.31 O ATOM 1163 NE2 GLN A 75 20.315 14.599 -8.704 1.00 0.75 N ATOM 0 H GLN A 75 20.128 14.789 -4.620 1.00 0.46 H new ATOM 0 HA GLN A 75 17.337 15.588 -4.324 1.00 0.48 H new ATOM 0 HB2 GLN A 75 17.212 14.688 -6.679 1.00 0.52 H new ATOM 0 HB3 GLN A 75 18.472 15.887 -6.465 1.00 0.52 H new ATOM 0 HG2 GLN A 75 20.172 14.079 -6.181 1.00 0.26 H new ATOM 0 HG3 GLN A 75 18.921 12.860 -6.331 1.00 0.26 H new ATOM 0 HE21 GLN A 75 20.983 15.087 -8.108 1.00 0.75 H new ATOM 0 HE22 GLN A 75 20.410 14.644 -9.719 1.00 0.75 H new ATOM 1172 N GLN A 76 18.197 12.441 -4.082 1.00 0.12 N ATOM 1173 CA GLN A 76 17.659 11.098 -3.724 1.00 0.11 C ATOM 1174 C GLN A 76 17.285 11.076 -2.240 1.00 0.13 C ATOM 1175 O GLN A 76 16.398 10.357 -1.824 1.00 0.12 O ATOM 1176 CB GLN A 76 18.722 10.033 -3.999 1.00 0.28 C ATOM 1177 CG GLN A 76 18.162 8.991 -4.971 1.00 0.47 C ATOM 1178 CD GLN A 76 16.975 8.275 -4.325 1.00 1.38 C ATOM 1179 OE1 GLN A 76 16.867 8.223 -3.116 1.00 2.67 O ATOM 1180 NE2 GLN A 76 16.073 7.718 -5.085 1.00 1.83 N ATOM 0 H GLN A 76 19.214 12.501 -4.135 1.00 0.12 H new ATOM 0 HA GLN A 76 16.773 10.890 -4.324 1.00 0.11 H new ATOM 0 HB2 GLN A 76 19.615 10.495 -4.420 1.00 0.28 H new ATOM 0 HB3 GLN A 76 19.021 9.553 -3.067 1.00 0.28 H new ATOM 0 HG2 GLN A 76 17.849 9.473 -5.897 1.00 0.47 H new ATOM 0 HG3 GLN A 76 18.936 8.270 -5.233 1.00 0.47 H new ATOM 0 HE21 GLN A 76 16.164 7.762 -6.100 1.00 1.83 H new ATOM 0 HE22 GLN A 76 15.277 7.239 -4.664 1.00 1.83 H new ATOM 1189 N PHE A 77 17.954 11.858 -1.439 1.00 0.28 N ATOM 1190 CA PHE A 77 17.637 11.882 0.017 1.00 0.42 C ATOM 1191 C PHE A 77 16.212 12.399 0.219 1.00 0.42 C ATOM 1192 O PHE A 77 15.433 11.829 0.957 1.00 0.43 O ATOM 1193 CB PHE A 77 18.622 12.804 0.739 1.00 0.58 C ATOM 1194 CG PHE A 77 18.270 12.867 2.206 1.00 0.80 C ATOM 1195 CD1 PHE A 77 18.560 11.782 3.042 1.00 0.93 C ATOM 1196 CD2 PHE A 77 17.652 14.010 2.729 1.00 0.91 C ATOM 1197 CE1 PHE A 77 18.233 11.841 4.402 1.00 1.13 C ATOM 1198 CE2 PHE A 77 17.326 14.068 4.089 1.00 1.12 C ATOM 1199 CZ PHE A 77 17.616 12.984 4.925 1.00 1.21 C ATOM 0 H PHE A 77 18.707 12.482 -1.730 1.00 0.28 H new ATOM 0 HA PHE A 77 17.719 10.874 0.424 1.00 0.42 H new ATOM 0 HB2 PHE A 77 19.640 12.435 0.614 1.00 0.58 H new ATOM 0 HB3 PHE A 77 18.589 13.802 0.303 1.00 0.58 H new ATOM 0 HD1 PHE A 77 19.035 10.900 2.638 1.00 0.93 H new ATOM 0 HD2 PHE A 77 17.427 14.846 2.083 1.00 0.91 H new ATOM 0 HE1 PHE A 77 18.457 11.005 5.048 1.00 1.13 H new ATOM 0 HE2 PHE A 77 16.851 14.949 4.493 1.00 1.12 H new ATOM 0 HZ PHE A 77 17.364 13.029 5.974 1.00 1.21 H new ATOM 1209 N HIS A 78 15.863 13.475 -0.430 1.00 0.47 N ATOM 1210 CA HIS A 78 14.489 14.028 -0.275 1.00 0.57 C ATOM 1211 C HIS A 78 13.493 13.134 -1.018 1.00 0.47 C ATOM 1212 O HIS A 78 12.537 12.647 -0.448 1.00 0.44 O ATOM 1213 CB HIS A 78 14.437 15.442 -0.857 1.00 0.72 C ATOM 1214 CG HIS A 78 13.046 15.994 -0.711 1.00 1.24 C ATOM 1215 ND1 HIS A 78 12.597 17.073 -1.457 1.00 2.02 N ATOM 1216 CD2 HIS A 78 11.993 15.628 0.090 1.00 1.11 C ATOM 1217 CE1 HIS A 78 11.324 17.316 -1.092 1.00 2.34 C ATOM 1218 NE2 HIS A 78 10.907 16.464 -0.152 1.00 1.81 N ATOM 0 H HIS A 78 16.471 13.996 -1.062 1.00 0.47 H new ATOM 0 HA HIS A 78 14.229 14.062 0.783 1.00 0.57 H new ATOM 0 HB2 HIS A 78 15.151 16.085 -0.342 1.00 0.72 H new ATOM 0 HB3 HIS A 78 14.724 15.425 -1.908 1.00 0.72 H new ATOM 0 HD2 HIS A 78 12.005 14.815 0.800 1.00 1.11 H new ATOM 0 HE1 HIS A 78 10.714 18.104 -1.509 1.00 2.34 H new ATOM 0 HE2 HIS A 78 9.990 16.433 0.293 1.00 1.81 H new ATOM 1226 N ARG A 79 13.711 12.913 -2.285 1.00 0.45 N ATOM 1227 CA ARG A 79 12.778 12.051 -3.062 1.00 0.42 C ATOM 1228 C ARG A 79 12.513 10.760 -2.286 1.00 0.29 C ATOM 1229 O ARG A 79 11.500 10.113 -2.465 1.00 0.36 O ATOM 1230 CB ARG A 79 13.402 11.715 -4.418 1.00 0.41 C ATOM 1231 CG ARG A 79 12.294 11.434 -5.435 1.00 0.79 C ATOM 1232 CD ARG A 79 12.911 10.892 -6.726 1.00 0.86 C ATOM 1233 NE ARG A 79 12.432 11.701 -7.881 1.00 1.05 N ATOM 1234 CZ ARG A 79 13.044 11.622 -9.032 1.00 1.12 C ATOM 1235 NH1 ARG A 79 14.075 10.833 -9.169 1.00 1.26 N ATOM 1236 NH2 ARG A 79 12.624 12.330 -10.044 1.00 1.39 N ATOM 0 H ARG A 79 14.495 13.292 -2.816 1.00 0.45 H new ATOM 0 HA ARG A 79 11.838 12.580 -3.218 1.00 0.42 H new ATOM 0 HB2 ARG A 79 14.022 12.543 -4.760 1.00 0.41 H new ATOM 0 HB3 ARG A 79 14.054 10.846 -4.325 1.00 0.41 H new ATOM 0 HG2 ARG A 79 11.586 10.713 -5.027 1.00 0.79 H new ATOM 0 HG3 ARG A 79 11.736 12.347 -5.642 1.00 0.79 H new ATOM 0 HD2 ARG A 79 13.999 10.931 -6.667 1.00 0.86 H new ATOM 0 HD3 ARG A 79 12.637 9.846 -6.862 1.00 0.86 H new ATOM 0 HE ARG A 79 11.626 12.317 -7.773 1.00 1.05 H new ATOM 0 HH11 ARG A 79 14.402 10.279 -8.377 1.00 1.26 H new ATOM 0 HH12 ARG A 79 14.554 10.771 -10.068 1.00 1.26 H new ATOM 0 HH21 ARG A 79 11.818 12.945 -9.936 1.00 1.39 H new ATOM 0 HH22 ARG A 79 13.102 12.268 -10.943 1.00 1.39 H new ATOM 1250 N HIS A 80 13.418 10.378 -1.427 1.00 0.16 N ATOM 1251 CA HIS A 80 13.219 9.128 -0.641 1.00 0.10 C ATOM 1252 C HIS A 80 12.376 9.434 0.599 1.00 0.15 C ATOM 1253 O HIS A 80 11.345 8.832 0.824 1.00 0.20 O ATOM 1254 CB HIS A 80 14.578 8.575 -0.209 1.00 0.16 C ATOM 1255 CG HIS A 80 14.373 7.450 0.771 1.00 0.20 C ATOM 1256 ND1 HIS A 80 14.369 6.121 0.380 1.00 0.37 N ATOM 1257 CD2 HIS A 80 14.166 7.443 2.128 1.00 0.36 C ATOM 1258 CE1 HIS A 80 14.164 5.375 1.480 1.00 0.37 C ATOM 1259 NE2 HIS A 80 14.034 6.132 2.574 1.00 0.30 N ATOM 0 H HIS A 80 14.286 10.878 -1.236 1.00 0.16 H new ATOM 0 HA HIS A 80 12.705 8.390 -1.257 1.00 0.10 H new ATOM 0 HB2 HIS A 80 15.131 8.218 -1.078 1.00 0.16 H new ATOM 0 HB3 HIS A 80 15.176 9.364 0.247 1.00 0.16 H new ATOM 0 HD1 HIS A 80 14.498 5.772 -0.570 1.00 0.37 H new ATOM 0 HD2 HIS A 80 14.114 8.322 2.754 1.00 0.36 H new ATOM 0 HE1 HIS A 80 14.111 4.296 1.480 1.00 0.37 H new ATOM 1267 N LYS A 81 12.806 10.365 1.405 1.00 0.16 N ATOM 1268 CA LYS A 81 12.029 10.709 2.630 1.00 0.23 C ATOM 1269 C LYS A 81 10.552 10.874 2.268 1.00 0.15 C ATOM 1270 O LYS A 81 9.675 10.431 2.983 1.00 0.26 O ATOM 1271 CB LYS A 81 12.560 12.018 3.219 1.00 0.34 C ATOM 1272 CG LYS A 81 13.889 11.758 3.931 1.00 0.40 C ATOM 1273 CD LYS A 81 13.646 11.633 5.437 1.00 0.61 C ATOM 1274 CE LYS A 81 14.859 10.975 6.097 1.00 0.45 C ATOM 1275 NZ LYS A 81 14.998 11.478 7.493 1.00 1.02 N ATOM 0 H LYS A 81 13.662 10.903 1.269 1.00 0.16 H new ATOM 0 HA LYS A 81 12.135 9.910 3.364 1.00 0.23 H new ATOM 0 HB2 LYS A 81 12.698 12.755 2.428 1.00 0.34 H new ATOM 0 HB3 LYS A 81 11.836 12.434 3.919 1.00 0.34 H new ATOM 0 HG2 LYS A 81 14.346 10.845 3.549 1.00 0.40 H new ATOM 0 HG3 LYS A 81 14.586 12.572 3.731 1.00 0.40 H new ATOM 0 HD2 LYS A 81 13.472 12.618 5.871 1.00 0.61 H new ATOM 0 HD3 LYS A 81 12.751 11.040 5.624 1.00 0.61 H new ATOM 0 HE2 LYS A 81 14.742 9.891 6.099 1.00 0.45 H new ATOM 0 HE3 LYS A 81 15.761 11.197 5.527 1.00 0.45 H new ATOM 0 HZ1 LYS A 81 15.823 11.031 7.943 1.00 1.02 H new ATOM 0 HZ2 LYS A 81 15.128 12.510 7.479 1.00 1.02 H new ATOM 0 HZ3 LYS A 81 14.140 11.245 8.033 1.00 1.02 H new ATOM 1289 N GLN A 82 10.270 11.507 1.162 1.00 0.15 N ATOM 1290 CA GLN A 82 8.849 11.698 0.756 1.00 0.21 C ATOM 1291 C GLN A 82 8.201 10.333 0.517 1.00 0.20 C ATOM 1292 O GLN A 82 7.119 10.057 0.994 1.00 0.28 O ATOM 1293 CB GLN A 82 8.794 12.523 -0.532 1.00 0.28 C ATOM 1294 CG GLN A 82 7.866 13.722 -0.332 1.00 0.27 C ATOM 1295 CD GLN A 82 7.793 14.534 -1.626 1.00 0.26 C ATOM 1296 OE1 GLN A 82 8.457 15.542 -1.762 1.00 0.91 O ATOM 1297 NE2 GLN A 82 7.009 14.135 -2.589 1.00 1.49 N ATOM 0 H GLN A 82 10.961 11.900 0.523 1.00 0.15 H new ATOM 0 HA GLN A 82 8.311 12.222 1.546 1.00 0.21 H new ATOM 0 HB2 GLN A 82 9.794 12.864 -0.800 1.00 0.28 H new ATOM 0 HB3 GLN A 82 8.436 11.906 -1.356 1.00 0.28 H new ATOM 0 HG2 GLN A 82 6.870 13.381 -0.048 1.00 0.27 H new ATOM 0 HG3 GLN A 82 8.233 14.347 0.482 1.00 0.27 H new ATOM 0 HE21 GLN A 82 6.451 13.289 -2.475 1.00 1.49 H new ATOM 0 HE22 GLN A 82 6.954 14.669 -3.456 1.00 1.49 H new ATOM 1306 N LEU A 83 8.855 9.477 -0.219 1.00 0.19 N ATOM 1307 CA LEU A 83 8.276 8.130 -0.488 1.00 0.21 C ATOM 1308 C LEU A 83 7.892 7.468 0.837 1.00 0.22 C ATOM 1309 O LEU A 83 6.746 7.142 1.070 1.00 0.25 O ATOM 1310 CB LEU A 83 9.312 7.265 -1.211 1.00 0.19 C ATOM 1311 CG LEU A 83 8.601 6.184 -2.027 1.00 0.26 C ATOM 1312 CD1 LEU A 83 9.640 5.341 -2.771 1.00 0.26 C ATOM 1313 CD2 LEU A 83 7.795 5.282 -1.089 1.00 0.32 C ATOM 0 H LEU A 83 9.765 9.652 -0.646 1.00 0.19 H new ATOM 0 HA LEU A 83 7.389 8.232 -1.113 1.00 0.21 H new ATOM 0 HB2 LEU A 83 9.924 7.885 -1.866 1.00 0.19 H new ATOM 0 HB3 LEU A 83 9.985 6.805 -0.487 1.00 0.19 H new ATOM 0 HG LEU A 83 7.930 6.655 -2.745 1.00 0.26 H new ATOM 0 HD11 LEU A 83 9.134 4.570 -3.353 1.00 0.26 H new ATOM 0 HD12 LEU A 83 10.216 5.981 -3.439 1.00 0.26 H new ATOM 0 HD13 LEU A 83 10.310 4.871 -2.051 1.00 0.26 H new ATOM 0 HD21 LEU A 83 7.289 4.512 -1.671 1.00 0.32 H new ATOM 0 HD22 LEU A 83 8.466 4.811 -0.371 1.00 0.32 H new ATOM 0 HD23 LEU A 83 7.055 5.880 -0.556 1.00 0.32 H new ATOM 1325 N ILE A 84 8.844 7.267 1.708 1.00 0.21 N ATOM 1326 CA ILE A 84 8.532 6.626 3.017 1.00 0.23 C ATOM 1327 C ILE A 84 7.342 7.339 3.663 1.00 0.23 C ATOM 1328 O ILE A 84 6.423 6.713 4.150 1.00 0.24 O ATOM 1329 CB ILE A 84 9.749 6.730 3.939 1.00 0.26 C ATOM 1330 CG1 ILE A 84 11.016 6.354 3.164 1.00 0.27 C ATOM 1331 CG2 ILE A 84 9.576 5.778 5.124 1.00 0.29 C ATOM 1332 CD1 ILE A 84 10.792 5.037 2.418 1.00 0.26 C ATOM 0 H ILE A 84 9.823 7.519 1.570 1.00 0.21 H new ATOM 0 HA ILE A 84 8.285 5.576 2.858 1.00 0.23 H new ATOM 0 HB ILE A 84 9.838 7.753 4.304 1.00 0.26 H new ATOM 0 HG12 ILE A 84 11.270 7.145 2.458 1.00 0.27 H new ATOM 0 HG13 ILE A 84 11.858 6.256 3.850 1.00 0.27 H new ATOM 0 HG21 ILE A 84 10.443 5.853 5.780 1.00 0.29 H new ATOM 0 HG22 ILE A 84 8.677 6.047 5.679 1.00 0.29 H new ATOM 0 HG23 ILE A 84 9.484 4.755 4.759 1.00 0.29 H new ATOM 0 HD11 ILE A 84 11.695 4.772 1.868 1.00 0.26 H new ATOM 0 HD12 ILE A 84 10.559 4.249 3.134 1.00 0.26 H new ATOM 0 HD13 ILE A 84 9.962 5.151 1.720 1.00 0.26 H new ATOM 1344 N ARG A 85 7.352 8.644 3.670 1.00 0.26 N ATOM 1345 CA ARG A 85 6.222 9.393 4.285 1.00 0.28 C ATOM 1346 C ARG A 85 4.909 8.969 3.623 1.00 0.26 C ATOM 1347 O ARG A 85 3.972 8.564 4.282 1.00 0.35 O ATOM 1348 CB ARG A 85 6.434 10.895 4.079 1.00 0.30 C ATOM 1349 CG ARG A 85 5.760 11.669 5.215 1.00 0.47 C ATOM 1350 CD ARG A 85 6.742 11.833 6.376 1.00 1.18 C ATOM 1351 NE ARG A 85 6.074 12.559 7.493 1.00 1.50 N ATOM 1352 CZ ARG A 85 6.606 12.555 8.684 1.00 2.42 C ATOM 1353 NH1 ARG A 85 7.723 11.913 8.898 1.00 3.33 N ATOM 1354 NH2 ARG A 85 6.022 13.192 9.663 1.00 2.78 N ATOM 0 H ARG A 85 8.094 9.223 3.276 1.00 0.26 H new ATOM 0 HA ARG A 85 6.179 9.174 5.352 1.00 0.28 H new ATOM 0 HB2 ARG A 85 7.500 11.122 4.053 1.00 0.30 H new ATOM 0 HB3 ARG A 85 6.019 11.203 3.119 1.00 0.30 H new ATOM 0 HG2 ARG A 85 5.435 12.647 4.860 1.00 0.47 H new ATOM 0 HG3 ARG A 85 4.869 11.139 5.551 1.00 0.47 H new ATOM 0 HD2 ARG A 85 7.085 10.856 6.717 1.00 1.18 H new ATOM 0 HD3 ARG A 85 7.623 12.383 6.046 1.00 1.18 H new ATOM 0 HE ARG A 85 5.201 13.059 7.326 1.00 1.50 H new ATOM 0 HH11 ARG A 85 8.179 11.415 8.134 1.00 3.33 H new ATOM 0 HH12 ARG A 85 8.139 11.910 9.829 1.00 3.33 H new ATOM 0 HH21 ARG A 85 5.149 13.693 9.497 1.00 2.78 H new ATOM 0 HH22 ARG A 85 6.439 13.188 10.594 1.00 2.78 H new ATOM 1368 N PHE A 86 4.832 9.062 2.324 1.00 0.20 N ATOM 1369 CA PHE A 86 3.580 8.664 1.621 1.00 0.21 C ATOM 1370 C PHE A 86 3.174 7.254 2.055 1.00 0.19 C ATOM 1371 O PHE A 86 2.037 7.004 2.401 1.00 0.18 O ATOM 1372 CB PHE A 86 3.815 8.684 0.110 1.00 0.25 C ATOM 1373 CG PHE A 86 3.412 10.029 -0.446 1.00 0.25 C ATOM 1374 CD1 PHE A 86 2.067 10.298 -0.724 1.00 0.14 C ATOM 1375 CD2 PHE A 86 4.386 11.008 -0.682 1.00 0.39 C ATOM 1376 CE1 PHE A 86 1.694 11.545 -1.239 1.00 0.23 C ATOM 1377 CE2 PHE A 86 4.012 12.256 -1.197 1.00 0.46 C ATOM 1378 CZ PHE A 86 2.666 12.525 -1.475 1.00 0.38 C ATOM 0 H PHE A 86 5.582 9.396 1.719 1.00 0.20 H new ATOM 0 HA PHE A 86 2.784 9.364 1.875 1.00 0.21 H new ATOM 0 HB2 PHE A 86 4.865 8.489 -0.108 1.00 0.25 H new ATOM 0 HB3 PHE A 86 3.238 7.893 -0.369 1.00 0.25 H new ATOM 0 HD1 PHE A 86 1.317 9.543 -0.541 1.00 0.14 H new ATOM 0 HD2 PHE A 86 5.424 10.801 -0.467 1.00 0.39 H new ATOM 0 HE1 PHE A 86 0.656 11.751 -1.454 1.00 0.23 H new ATOM 0 HE2 PHE A 86 4.762 13.011 -1.380 1.00 0.46 H new ATOM 0 HZ PHE A 86 2.378 13.488 -1.871 1.00 0.38 H new ATOM 1388 N LEU A 87 4.096 6.331 2.042 1.00 0.21 N ATOM 1389 CA LEU A 87 3.762 4.938 2.454 1.00 0.24 C ATOM 1390 C LEU A 87 3.375 4.924 3.935 1.00 0.30 C ATOM 1391 O LEU A 87 2.545 4.146 4.361 1.00 0.54 O ATOM 1392 CB LEU A 87 4.978 4.034 2.234 1.00 0.32 C ATOM 1393 CG LEU A 87 4.866 3.341 0.872 1.00 0.62 C ATOM 1394 CD1 LEU A 87 6.192 2.659 0.539 1.00 0.60 C ATOM 1395 CD2 LEU A 87 3.750 2.289 0.905 1.00 1.08 C ATOM 0 H LEU A 87 5.066 6.481 1.764 1.00 0.21 H new ATOM 0 HA LEU A 87 2.927 4.572 1.857 1.00 0.24 H new ATOM 0 HB2 LEU A 87 5.894 4.623 2.279 1.00 0.32 H new ATOM 0 HB3 LEU A 87 5.038 3.290 3.028 1.00 0.32 H new ATOM 0 HG LEU A 87 4.632 4.087 0.112 1.00 0.62 H new ATOM 0 HD11 LEU A 87 6.114 2.165 -0.430 1.00 0.60 H new ATOM 0 HD12 LEU A 87 6.986 3.405 0.503 1.00 0.60 H new ATOM 0 HD13 LEU A 87 6.423 1.919 1.305 1.00 0.60 H new ATOM 0 HD21 LEU A 87 3.679 1.803 -0.068 1.00 1.08 H new ATOM 0 HD22 LEU A 87 3.975 1.543 1.668 1.00 1.08 H new ATOM 0 HD23 LEU A 87 2.801 2.772 1.139 1.00 1.08 H new ATOM 1407 N LYS A 88 3.972 5.777 4.722 1.00 0.27 N ATOM 1408 CA LYS A 88 3.637 5.810 6.174 1.00 0.28 C ATOM 1409 C LYS A 88 2.254 6.437 6.366 1.00 0.25 C ATOM 1410 O LYS A 88 1.673 6.367 7.430 1.00 0.37 O ATOM 1411 CB LYS A 88 4.682 6.643 6.919 1.00 0.31 C ATOM 1412 CG LYS A 88 5.504 5.732 7.833 1.00 0.25 C ATOM 1413 CD LYS A 88 6.540 6.567 8.590 1.00 0.49 C ATOM 1414 CE LYS A 88 7.070 5.767 9.781 1.00 0.60 C ATOM 1415 NZ LYS A 88 8.542 5.967 9.897 1.00 1.57 N ATOM 0 H LYS A 88 4.676 6.452 4.423 1.00 0.27 H new ATOM 0 HA LYS A 88 3.632 4.794 6.568 1.00 0.28 H new ATOM 0 HB2 LYS A 88 5.336 7.147 6.207 1.00 0.31 H new ATOM 0 HB3 LYS A 88 4.192 7.419 7.507 1.00 0.31 H new ATOM 0 HG2 LYS A 88 4.849 5.220 8.538 1.00 0.25 H new ATOM 0 HG3 LYS A 88 6.002 4.962 7.244 1.00 0.25 H new ATOM 0 HD2 LYS A 88 7.361 6.837 7.926 1.00 0.49 H new ATOM 0 HD3 LYS A 88 6.090 7.498 8.935 1.00 0.49 H new ATOM 0 HE2 LYS A 88 6.575 6.088 10.698 1.00 0.60 H new ATOM 0 HE3 LYS A 88 6.845 4.708 9.651 1.00 0.60 H new ATOM 0 HZ1 LYS A 88 8.903 5.423 10.707 1.00 1.57 H new ATOM 0 HZ2 LYS A 88 9.006 5.640 9.026 1.00 1.57 H new ATOM 0 HZ3 LYS A 88 8.745 6.977 10.040 1.00 1.57 H new ATOM 1429 N ARG A 89 1.724 7.050 5.342 1.00 0.13 N ATOM 1430 CA ARG A 89 0.380 7.682 5.468 1.00 0.17 C ATOM 1431 C ARG A 89 -0.700 6.665 5.091 1.00 0.17 C ATOM 1432 O ARG A 89 -1.499 6.258 5.911 1.00 0.16 O ATOM 1433 CB ARG A 89 0.294 8.888 4.533 1.00 0.18 C ATOM 1434 CG ARG A 89 -0.799 9.839 5.023 1.00 0.53 C ATOM 1435 CD ARG A 89 -0.873 11.055 4.098 1.00 0.27 C ATOM 1436 NE ARG A 89 -0.477 12.277 4.854 1.00 1.10 N ATOM 1437 CZ ARG A 89 -0.179 13.373 4.210 1.00 1.21 C ATOM 1438 NH1 ARG A 89 -0.228 13.398 2.906 1.00 1.01 N ATOM 1439 NH2 ARG A 89 0.168 14.444 4.870 1.00 1.90 N ATOM 0 H ARG A 89 2.163 7.140 4.426 1.00 0.13 H new ATOM 0 HA ARG A 89 0.227 8.009 6.497 1.00 0.17 H new ATOM 0 HB2 ARG A 89 1.253 9.405 4.501 1.00 0.18 H new ATOM 0 HB3 ARG A 89 0.075 8.559 3.517 1.00 0.18 H new ATOM 0 HG2 ARG A 89 -1.760 9.325 5.043 1.00 0.53 H new ATOM 0 HG3 ARG A 89 -0.587 10.158 6.044 1.00 0.53 H new ATOM 0 HD2 ARG A 89 -0.214 10.915 3.241 1.00 0.27 H new ATOM 0 HD3 ARG A 89 -1.884 11.167 3.707 1.00 0.27 H new ATOM 0 HE ARG A 89 -0.439 12.257 5.873 1.00 1.10 H new ATOM 0 HH11 ARG A 89 -0.499 12.561 2.390 1.00 1.01 H new ATOM 0 HH12 ARG A 89 0.005 14.254 2.403 1.00 1.01 H new ATOM 0 HH21 ARG A 89 0.206 14.425 5.889 1.00 1.90 H new ATOM 0 HH22 ARG A 89 0.401 15.300 4.367 1.00 1.90 H new ATOM 1453 N LEU A 90 -0.735 6.255 3.852 1.00 0.18 N ATOM 1454 CA LEU A 90 -1.766 5.267 3.423 1.00 0.19 C ATOM 1455 C LEU A 90 -1.630 3.991 4.256 1.00 0.19 C ATOM 1456 O LEU A 90 -2.601 3.314 4.533 1.00 0.27 O ATOM 1457 CB LEU A 90 -1.571 4.935 1.942 1.00 0.16 C ATOM 1458 CG LEU A 90 -0.172 4.358 1.725 1.00 0.13 C ATOM 1459 CD1 LEU A 90 -0.267 2.843 1.535 1.00 0.11 C ATOM 1460 CD2 LEU A 90 0.449 4.988 0.476 1.00 0.12 C ATOM 0 H LEU A 90 -0.095 6.561 3.119 1.00 0.18 H new ATOM 0 HA LEU A 90 -2.759 5.692 3.571 1.00 0.19 H new ATOM 0 HB2 LEU A 90 -2.325 4.218 1.617 1.00 0.16 H new ATOM 0 HB3 LEU A 90 -1.703 5.832 1.337 1.00 0.16 H new ATOM 0 HG LEU A 90 0.450 4.577 2.593 1.00 0.13 H new ATOM 0 HD11 LEU A 90 0.731 2.432 1.380 1.00 0.11 H new ATOM 0 HD12 LEU A 90 -0.711 2.392 2.422 1.00 0.11 H new ATOM 0 HD13 LEU A 90 -0.888 2.623 0.667 1.00 0.11 H new ATOM 0 HD21 LEU A 90 1.447 4.578 0.319 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -0.174 4.768 -0.391 1.00 0.12 H new ATOM 0 HD23 LEU A 90 0.517 6.068 0.609 1.00 0.12 H new ATOM 1472 N ASP A 91 -0.435 3.654 4.656 1.00 0.23 N ATOM 1473 CA ASP A 91 -0.241 2.421 5.469 1.00 0.26 C ATOM 1474 C ASP A 91 -1.205 2.435 6.657 1.00 0.28 C ATOM 1475 O ASP A 91 -1.722 1.413 7.062 1.00 0.33 O ATOM 1476 CB ASP A 91 1.200 2.367 5.981 1.00 0.28 C ATOM 1477 CG ASP A 91 1.292 1.378 7.144 1.00 0.23 C ATOM 1478 OD1 ASP A 91 0.780 1.692 8.206 1.00 0.93 O ATOM 1479 OD2 ASP A 91 1.875 0.323 6.954 1.00 1.16 O ATOM 0 H ASP A 91 0.416 4.180 4.455 1.00 0.23 H new ATOM 0 HA ASP A 91 -0.439 1.545 4.851 1.00 0.26 H new ATOM 0 HB2 ASP A 91 1.871 2.063 5.178 1.00 0.28 H new ATOM 0 HB3 ASP A 91 1.519 3.357 6.306 1.00 0.28 H new ATOM 1484 N ARG A 92 -1.449 3.587 7.221 1.00 0.26 N ATOM 1485 CA ARG A 92 -2.379 3.664 8.383 1.00 0.29 C ATOM 1486 C ARG A 92 -3.817 3.764 7.873 1.00 0.28 C ATOM 1487 O ARG A 92 -4.740 3.259 8.482 1.00 0.31 O ATOM 1488 CB ARG A 92 -2.057 4.901 9.238 1.00 0.29 C ATOM 1489 CG ARG A 92 -0.871 4.627 10.182 1.00 0.36 C ATOM 1490 CD ARG A 92 0.455 4.720 9.414 1.00 2.15 C ATOM 1491 NE ARG A 92 1.323 3.536 9.722 1.00 2.97 N ATOM 1492 CZ ARG A 92 1.520 3.140 10.953 1.00 2.97 C ATOM 1493 NH1 ARG A 92 1.024 3.817 11.953 1.00 2.07 N ATOM 1494 NH2 ARG A 92 2.239 2.075 11.185 1.00 4.15 N ATOM 0 H ARG A 92 -1.045 4.477 6.928 1.00 0.26 H new ATOM 0 HA ARG A 92 -2.262 2.768 8.993 1.00 0.29 H new ATOM 0 HB2 ARG A 92 -1.822 5.745 8.589 1.00 0.29 H new ATOM 0 HB3 ARG A 92 -2.934 5.182 9.822 1.00 0.29 H new ATOM 0 HG2 ARG A 92 -0.876 5.346 11.001 1.00 0.36 H new ATOM 0 HG3 ARG A 92 -0.973 3.637 10.627 1.00 0.36 H new ATOM 0 HD2 ARG A 92 0.259 4.766 8.343 1.00 2.15 H new ATOM 0 HD3 ARG A 92 0.975 5.640 9.683 1.00 2.15 H new ATOM 0 HE ARG A 92 1.768 3.030 8.957 1.00 2.97 H new ATOM 0 HH11 ARG A 92 0.479 4.661 11.777 1.00 2.07 H new ATOM 0 HH12 ARG A 92 1.182 3.502 12.910 1.00 2.07 H new ATOM 0 HH21 ARG A 92 2.645 1.555 10.407 1.00 4.15 H new ATOM 0 HH22 ARG A 92 2.395 1.764 12.144 1.00 4.15 H new ATOM 1508 N ASN A 93 -4.017 4.413 6.758 1.00 0.24 N ATOM 1509 CA ASN A 93 -5.397 4.544 6.210 1.00 0.24 C ATOM 1510 C ASN A 93 -5.987 3.153 5.974 1.00 0.25 C ATOM 1511 O ASN A 93 -7.042 2.823 6.478 1.00 0.35 O ATOM 1512 CB ASN A 93 -5.348 5.309 4.885 1.00 0.20 C ATOM 1513 CG ASN A 93 -4.642 6.650 5.095 1.00 0.23 C ATOM 1514 OD1 ASN A 93 -4.323 7.014 6.209 1.00 1.35 O ATOM 1515 ND2 ASN A 93 -4.382 7.404 4.062 1.00 1.31 N ATOM 0 H ASN A 93 -3.285 4.858 6.204 1.00 0.24 H new ATOM 0 HA ASN A 93 -6.020 5.086 6.921 1.00 0.24 H new ATOM 0 HB2 ASN A 93 -4.820 4.722 4.133 1.00 0.20 H new ATOM 0 HB3 ASN A 93 -6.358 5.473 4.510 1.00 0.20 H new ATOM 0 HD21 ASN A 93 -3.911 8.299 4.190 1.00 1.31 H new ATOM 0 HD22 ASN A 93 -4.650 7.098 3.127 1.00 1.31 H new ATOM 1522 N LEU A 94 -5.316 2.335 5.211 1.00 0.20 N ATOM 1523 CA LEU A 94 -5.839 0.966 4.943 1.00 0.22 C ATOM 1524 C LEU A 94 -6.162 0.276 6.270 1.00 0.23 C ATOM 1525 O LEU A 94 -7.306 0.002 6.576 1.00 0.17 O ATOM 1526 CB LEU A 94 -4.784 0.154 4.189 1.00 0.23 C ATOM 1527 CG LEU A 94 -4.347 0.918 2.938 1.00 0.26 C ATOM 1528 CD1 LEU A 94 -3.281 0.113 2.193 1.00 0.25 C ATOM 1529 CD2 LEU A 94 -5.553 1.133 2.020 1.00 0.34 C ATOM 0 H LEU A 94 -4.428 2.556 4.761 1.00 0.20 H new ATOM 0 HA LEU A 94 -6.743 1.034 4.339 1.00 0.22 H new ATOM 0 HB2 LEU A 94 -3.924 -0.032 4.833 1.00 0.23 H new ATOM 0 HB3 LEU A 94 -5.190 -0.819 3.910 1.00 0.23 H new ATOM 0 HG LEU A 94 -3.936 1.884 3.231 1.00 0.26 H new ATOM 0 HD11 LEU A 94 -2.970 0.658 1.302 1.00 0.25 H new ATOM 0 HD12 LEU A 94 -2.420 -0.040 2.844 1.00 0.25 H new ATOM 0 HD13 LEU A 94 -3.692 -0.854 1.902 1.00 0.25 H new ATOM 0 HD21 LEU A 94 -5.240 1.678 1.129 1.00 0.34 H new ATOM 0 HD22 LEU A 94 -5.965 0.167 1.729 1.00 0.34 H new ATOM 0 HD23 LEU A 94 -6.314 1.708 2.548 1.00 0.34 H new ATOM 1541 N TRP A 95 -5.163 -0.007 7.061 1.00 0.33 N ATOM 1542 CA TRP A 95 -5.413 -0.679 8.367 1.00 0.35 C ATOM 1543 C TRP A 95 -6.411 0.146 9.182 1.00 0.33 C ATOM 1544 O TRP A 95 -6.903 -0.290 10.204 1.00 0.33 O ATOM 1545 CB TRP A 95 -4.098 -0.800 9.139 1.00 0.41 C ATOM 1546 CG TRP A 95 -4.376 -1.290 10.523 1.00 0.35 C ATOM 1547 CD1 TRP A 95 -4.658 -0.500 11.585 1.00 0.33 C ATOM 1548 CD2 TRP A 95 -4.406 -2.661 11.014 1.00 0.30 C ATOM 1549 NE1 TRP A 95 -4.858 -1.300 12.696 1.00 0.28 N ATOM 1550 CE2 TRP A 95 -4.713 -2.639 12.395 1.00 0.25 C ATOM 1551 CE3 TRP A 95 -4.197 -3.910 10.401 1.00 0.31 C ATOM 1552 CZ2 TRP A 95 -4.810 -3.814 13.142 1.00 0.20 C ATOM 1553 CZ3 TRP A 95 -4.293 -5.095 11.150 1.00 0.27 C ATOM 1554 CH2 TRP A 95 -4.600 -5.047 12.516 1.00 0.22 C ATOM 0 H TRP A 95 -4.185 0.198 6.859 1.00 0.33 H new ATOM 0 HA TRP A 95 -5.823 -1.674 8.191 1.00 0.35 H new ATOM 0 HB2 TRP A 95 -3.425 -1.488 8.627 1.00 0.41 H new ATOM 0 HB3 TRP A 95 -3.597 0.167 9.178 1.00 0.41 H new ATOM 0 HD1 TRP A 95 -4.717 0.578 11.568 1.00 0.33 H new ATOM 0 HE1 TRP A 95 -5.085 -0.944 13.624 1.00 0.28 H new ATOM 0 HE3 TRP A 95 -3.961 -3.958 9.348 1.00 0.31 H new ATOM 0 HZ2 TRP A 95 -5.045 -3.771 14.195 1.00 0.20 H new ATOM 0 HZ3 TRP A 95 -4.129 -6.048 10.670 1.00 0.27 H new ATOM 0 HH2 TRP A 95 -4.674 -5.962 13.085 1.00 0.22 H new ATOM 1565 N GLY A 96 -6.713 1.336 8.740 1.00 0.32 N ATOM 1566 CA GLY A 96 -7.678 2.187 9.491 1.00 0.33 C ATOM 1567 C GLY A 96 -9.097 1.658 9.283 1.00 0.29 C ATOM 1568 O GLY A 96 -9.716 1.139 10.191 1.00 0.34 O ATOM 0 H GLY A 96 -6.333 1.755 7.891 1.00 0.32 H new ATOM 0 HA2 GLY A 96 -7.430 2.186 10.552 1.00 0.33 H new ATOM 0 HA3 GLY A 96 -7.610 3.220 9.149 1.00 0.33 H new ATOM 1572 N LEU A 97 -9.620 1.786 8.094 1.00 0.20 N ATOM 1573 CA LEU A 97 -11.001 1.289 7.830 1.00 0.17 C ATOM 1574 C LEU A 97 -11.069 -0.213 8.110 1.00 0.16 C ATOM 1575 O LEU A 97 -12.108 -0.830 7.986 1.00 0.14 O ATOM 1576 CB LEU A 97 -11.385 1.565 6.368 1.00 0.13 C ATOM 1577 CG LEU A 97 -10.273 1.092 5.415 1.00 0.12 C ATOM 1578 CD1 LEU A 97 -10.196 -0.441 5.383 1.00 0.20 C ATOM 1579 CD2 LEU A 97 -10.572 1.606 4.005 1.00 0.09 C ATOM 0 H LEU A 97 -9.152 2.213 7.295 1.00 0.20 H new ATOM 0 HA LEU A 97 -11.701 1.809 8.485 1.00 0.17 H new ATOM 0 HB2 LEU A 97 -12.317 1.054 6.129 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -11.561 2.632 6.228 1.00 0.13 H new ATOM 0 HG LEU A 97 -9.319 1.482 5.770 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -9.403 -0.751 4.703 1.00 0.20 H new ATOM 0 HD12 LEU A 97 -9.983 -0.816 6.384 1.00 0.20 H new ATOM 0 HD13 LEU A 97 -11.148 -0.846 5.039 1.00 0.20 H new ATOM 0 HD21 LEU A 97 -9.788 1.275 3.323 1.00 0.09 H new ATOM 0 HD22 LEU A 97 -11.533 1.214 3.671 1.00 0.09 H new ATOM 0 HD23 LEU A 97 -10.608 2.695 4.015 1.00 0.09 H new ATOM 1591 N ALA A 98 -9.970 -0.808 8.484 1.00 0.17 N ATOM 1592 CA ALA A 98 -9.974 -2.270 8.769 1.00 0.16 C ATOM 1593 C ALA A 98 -10.526 -2.515 10.175 1.00 0.13 C ATOM 1594 O ALA A 98 -11.551 -3.143 10.350 1.00 0.18 O ATOM 1595 CB ALA A 98 -8.546 -2.812 8.681 1.00 0.19 C ATOM 0 H ALA A 98 -9.069 -0.345 8.605 1.00 0.17 H new ATOM 0 HA ALA A 98 -10.602 -2.780 8.038 1.00 0.16 H new ATOM 0 HB1 ALA A 98 -8.549 -3.882 8.890 1.00 0.19 H new ATOM 0 HB2 ALA A 98 -8.152 -2.639 7.679 1.00 0.19 H new ATOM 0 HB3 ALA A 98 -7.918 -2.302 9.411 1.00 0.19 H new ATOM 1601 N GLY A 99 -9.855 -2.021 11.180 1.00 0.06 N ATOM 1602 CA GLY A 99 -10.342 -2.227 12.573 1.00 0.05 C ATOM 1603 C GLY A 99 -10.208 -3.703 12.950 1.00 0.07 C ATOM 1604 O GLY A 99 -10.783 -4.161 13.917 1.00 0.39 O ATOM 0 H GLY A 99 -8.992 -1.484 11.096 1.00 0.06 H new ATOM 0 HA2 GLY A 99 -9.767 -1.611 13.265 1.00 0.05 H new ATOM 0 HA3 GLY A 99 -11.383 -1.913 12.655 1.00 0.05 H new ATOM 1608 N LEU A 100 -9.451 -4.451 12.194 1.00 0.33 N ATOM 1609 CA LEU A 100 -9.280 -5.897 12.509 1.00 0.36 C ATOM 1610 C LEU A 100 -8.163 -6.066 13.542 1.00 0.37 C ATOM 1611 O LEU A 100 -7.016 -5.761 13.284 1.00 0.50 O ATOM 1612 CB LEU A 100 -8.914 -6.658 11.233 1.00 0.41 C ATOM 1613 CG LEU A 100 -10.013 -7.670 10.909 1.00 0.44 C ATOM 1614 CD1 LEU A 100 -9.721 -8.327 9.560 1.00 0.68 C ATOM 1615 CD2 LEU A 100 -10.054 -8.743 11.999 1.00 0.31 C ATOM 0 H LEU A 100 -8.944 -4.123 11.372 1.00 0.33 H new ATOM 0 HA LEU A 100 -10.212 -6.293 12.913 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -8.791 -5.961 10.404 1.00 0.41 H new ATOM 0 HB3 LEU A 100 -7.961 -7.170 11.363 1.00 0.41 H new ATOM 0 HG LEU A 100 -10.975 -7.159 10.863 1.00 0.44 H new ATOM 0 HD11 LEU A 100 -10.505 -9.048 9.329 1.00 0.68 H new ATOM 0 HD12 LEU A 100 -9.690 -7.564 8.783 1.00 0.68 H new ATOM 0 HD13 LEU A 100 -8.759 -8.838 9.605 1.00 0.68 H new ATOM 0 HD21 LEU A 100 -10.837 -9.465 11.769 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -9.092 -9.253 12.044 1.00 0.31 H new ATOM 0 HD23 LEU A 100 -10.262 -8.276 12.962 1.00 0.31 H new ATOM 1627 N ASN A 101 -8.490 -6.548 14.710 1.00 0.36 N ATOM 1628 CA ASN A 101 -7.446 -6.736 15.756 1.00 0.35 C ATOM 1629 C ASN A 101 -6.620 -7.982 15.435 1.00 0.46 C ATOM 1630 O ASN A 101 -5.406 -7.948 15.420 1.00 0.51 O ATOM 1631 CB ASN A 101 -8.118 -6.905 17.121 1.00 0.37 C ATOM 1632 CG ASN A 101 -7.151 -6.467 18.224 1.00 0.61 C ATOM 1633 OD1 ASN A 101 -5.988 -6.229 17.969 1.00 1.83 O ATOM 1634 ND2 ASN A 101 -7.588 -6.352 19.448 1.00 1.47 N ATOM 0 H ASN A 101 -9.434 -6.819 14.985 1.00 0.36 H new ATOM 0 HA ASN A 101 -6.792 -5.864 15.778 1.00 0.35 H new ATOM 0 HB2 ASN A 101 -9.030 -6.310 17.165 1.00 0.37 H new ATOM 0 HB3 ASN A 101 -8.408 -7.945 17.269 1.00 0.37 H new ATOM 0 HD21 ASN A 101 -6.953 -6.062 20.191 1.00 1.47 H new ATOM 0 HD22 ASN A 101 -8.565 -6.552 19.662 1.00 1.47 H new ATOM 1641 N SER A 102 -7.270 -9.085 15.177 1.00 0.75 N ATOM 1642 CA SER A 102 -6.521 -10.333 14.858 1.00 0.86 C ATOM 1643 C SER A 102 -6.292 -10.418 13.347 1.00 0.65 C ATOM 1644 O SER A 102 -7.221 -10.378 12.566 1.00 0.68 O ATOM 1645 CB SER A 102 -7.331 -11.545 15.319 1.00 1.21 C ATOM 1646 OG SER A 102 -6.442 -12.587 15.701 1.00 0.91 O ATOM 0 H SER A 102 -8.286 -9.175 15.174 1.00 0.75 H new ATOM 0 HA SER A 102 -5.560 -10.321 15.372 1.00 0.86 H new ATOM 0 HB2 SER A 102 -7.971 -11.271 16.158 1.00 1.21 H new ATOM 0 HB3 SER A 102 -7.986 -11.886 14.517 1.00 1.21 H new ATOM 0 HG SER A 102 -6.958 -13.365 15.999 1.00 0.91 H new ATOM 1652 N CYS A 103 -5.060 -10.535 12.930 1.00 0.49 N ATOM 1653 CA CYS A 103 -4.773 -10.623 11.471 1.00 0.31 C ATOM 1654 C CYS A 103 -3.339 -11.124 11.256 1.00 0.22 C ATOM 1655 O CYS A 103 -2.495 -10.380 10.796 1.00 0.27 O ATOM 1656 CB CYS A 103 -4.919 -9.234 10.845 1.00 0.22 C ATOM 1657 SG CYS A 103 -5.045 -9.394 9.046 1.00 0.32 S ATOM 0 H CYS A 103 -4.241 -10.573 13.537 1.00 0.49 H new ATOM 0 HA CYS A 103 -5.473 -11.316 11.005 1.00 0.31 H new ATOM 0 HB2 CYS A 103 -5.805 -8.737 11.240 1.00 0.22 H new ATOM 0 HB3 CYS A 103 -4.062 -8.613 11.107 1.00 0.22 H new ATOM 1662 N PRO A 104 -3.097 -12.368 11.596 1.00 0.27 N ATOM 1663 CA PRO A 104 -1.759 -12.969 11.444 1.00 0.26 C ATOM 1664 C PRO A 104 -1.362 -13.010 9.966 1.00 0.26 C ATOM 1665 O PRO A 104 -2.202 -13.046 9.088 1.00 0.37 O ATOM 1666 CB PRO A 104 -1.896 -14.391 12.006 1.00 0.31 C ATOM 1667 CG PRO A 104 -3.364 -14.573 12.471 1.00 0.47 C ATOM 1668 CD PRO A 104 -4.121 -13.274 12.156 1.00 0.44 C ATOM 0 HA PRO A 104 -0.988 -12.399 11.963 1.00 0.26 H new ATOM 0 HB2 PRO A 104 -1.641 -15.129 11.246 1.00 0.31 H new ATOM 0 HB3 PRO A 104 -1.209 -14.541 12.839 1.00 0.31 H new ATOM 0 HG2 PRO A 104 -3.825 -15.418 11.959 1.00 0.47 H new ATOM 0 HG3 PRO A 104 -3.403 -14.788 13.539 1.00 0.47 H new ATOM 0 HD2 PRO A 104 -4.927 -13.449 11.443 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -4.574 -12.853 13.053 1.00 0.44 H new ATOM 1676 N VAL A 105 -0.087 -13.005 9.685 1.00 0.39 N ATOM 1677 CA VAL A 105 0.363 -13.045 8.265 1.00 0.56 C ATOM 1678 C VAL A 105 0.603 -14.498 7.847 1.00 0.48 C ATOM 1679 O VAL A 105 0.571 -15.399 8.661 1.00 0.44 O ATOM 1680 CB VAL A 105 1.664 -12.250 8.123 1.00 0.81 C ATOM 1681 CG1 VAL A 105 2.749 -12.887 8.994 1.00 0.94 C ATOM 1682 CG2 VAL A 105 2.115 -12.261 6.660 1.00 1.05 C ATOM 0 H VAL A 105 0.662 -12.975 10.377 1.00 0.39 H new ATOM 0 HA VAL A 105 -0.403 -12.606 7.626 1.00 0.56 H new ATOM 0 HB VAL A 105 1.496 -11.222 8.443 1.00 0.81 H new ATOM 0 HG11 VAL A 105 3.675 -12.321 8.893 1.00 0.94 H new ATOM 0 HG12 VAL A 105 2.430 -12.879 10.036 1.00 0.94 H new ATOM 0 HG13 VAL A 105 2.915 -13.916 8.674 1.00 0.94 H new ATOM 0 HG21 VAL A 105 3.041 -11.695 6.560 1.00 1.05 H new ATOM 0 HG22 VAL A 105 2.282 -13.289 6.338 1.00 1.05 H new ATOM 0 HG23 VAL A 105 1.344 -11.807 6.038 1.00 1.05 H new ATOM 1692 N LYS A 106 0.842 -14.730 6.584 1.00 0.94 N ATOM 1693 CA LYS A 106 1.083 -16.124 6.113 1.00 0.91 C ATOM 1694 C LYS A 106 2.135 -16.092 4.988 1.00 0.88 C ATOM 1695 O LYS A 106 3.171 -15.474 5.129 1.00 1.04 O ATOM 1696 CB LYS A 106 -0.254 -16.711 5.624 1.00 0.85 C ATOM 1697 CG LYS A 106 -0.343 -18.202 5.978 1.00 0.91 C ATOM 1698 CD LYS A 106 0.747 -18.989 5.242 1.00 2.64 C ATOM 1699 CE LYS A 106 0.671 -20.462 5.649 1.00 2.90 C ATOM 1700 NZ LYS A 106 1.776 -21.215 4.993 1.00 4.26 N ATOM 0 H LYS A 106 0.881 -14.014 5.858 1.00 0.94 H new ATOM 0 HA LYS A 106 1.464 -16.755 6.916 1.00 0.91 H new ATOM 0 HB2 LYS A 106 -1.084 -16.172 6.080 1.00 0.85 H new ATOM 0 HB3 LYS A 106 -0.343 -16.580 4.546 1.00 0.85 H new ATOM 0 HG2 LYS A 106 -0.233 -18.334 7.054 1.00 0.91 H new ATOM 0 HG3 LYS A 106 -1.326 -18.589 5.708 1.00 0.91 H new ATOM 0 HD2 LYS A 106 0.617 -18.891 4.164 1.00 2.64 H new ATOM 0 HD3 LYS A 106 1.730 -18.584 5.483 1.00 2.64 H new ATOM 0 HE2 LYS A 106 0.746 -20.555 6.732 1.00 2.90 H new ATOM 0 HE3 LYS A 106 -0.292 -20.882 5.359 1.00 2.90 H new ATOM 0 HZ1 LYS A 106 1.725 -22.216 5.269 1.00 4.26 H new ATOM 0 HZ2 LYS A 106 1.685 -21.135 3.960 1.00 4.26 H new ATOM 0 HZ3 LYS A 106 2.690 -20.820 5.291 1.00 4.26 H new ATOM 1714 N GLU A 107 1.896 -16.743 3.879 1.00 0.73 N ATOM 1715 CA GLU A 107 2.899 -16.727 2.777 1.00 0.76 C ATOM 1716 C GLU A 107 2.181 -16.835 1.431 1.00 0.26 C ATOM 1717 O GLU A 107 0.986 -17.048 1.369 1.00 0.41 O ATOM 1718 CB GLU A 107 3.854 -17.912 2.940 1.00 1.22 C ATOM 1719 CG GLU A 107 4.844 -17.620 4.071 1.00 1.87 C ATOM 1720 CD GLU A 107 5.862 -18.758 4.163 1.00 1.91 C ATOM 1721 OE1 GLU A 107 6.757 -18.794 3.334 1.00 2.59 O ATOM 1722 OE2 GLU A 107 5.730 -19.573 5.061 1.00 1.81 O ATOM 0 H GLU A 107 1.051 -17.283 3.691 1.00 0.73 H new ATOM 0 HA GLU A 107 3.464 -15.795 2.814 1.00 0.76 H new ATOM 0 HB2 GLU A 107 3.291 -18.819 3.161 1.00 1.22 H new ATOM 0 HB3 GLU A 107 4.392 -18.090 2.009 1.00 1.22 H new ATOM 0 HG2 GLU A 107 5.355 -16.675 3.887 1.00 1.87 H new ATOM 0 HG3 GLU A 107 4.312 -17.516 5.017 1.00 1.87 H new ATOM 1729 N ALA A 108 2.899 -16.687 0.351 1.00 0.35 N ATOM 1730 CA ALA A 108 2.256 -16.781 -0.990 1.00 0.69 C ATOM 1731 C ALA A 108 3.336 -16.768 -2.074 1.00 0.84 C ATOM 1732 O ALA A 108 4.381 -17.370 -1.930 1.00 1.18 O ATOM 1733 CB ALA A 108 1.318 -15.589 -1.190 1.00 1.16 C ATOM 0 H ALA A 108 3.903 -16.505 0.340 1.00 0.35 H new ATOM 0 HA ALA A 108 1.685 -17.707 -1.056 1.00 0.69 H new ATOM 0 HB1 ALA A 108 0.847 -15.657 -2.171 1.00 1.16 H new ATOM 0 HB2 ALA A 108 0.549 -15.597 -0.417 1.00 1.16 H new ATOM 0 HB3 ALA A 108 1.888 -14.662 -1.125 1.00 1.16 H new ATOM 1739 N ASP A 109 3.093 -16.084 -3.159 1.00 0.67 N ATOM 1740 CA ASP A 109 4.105 -16.033 -4.251 1.00 0.86 C ATOM 1741 C ASP A 109 4.999 -14.806 -4.060 1.00 0.73 C ATOM 1742 O ASP A 109 5.634 -14.643 -3.037 1.00 0.72 O ATOM 1743 CB ASP A 109 3.393 -15.941 -5.602 1.00 0.98 C ATOM 1744 CG ASP A 109 2.634 -17.241 -5.871 1.00 1.09 C ATOM 1745 OD1 ASP A 109 1.481 -17.322 -5.481 1.00 2.03 O ATOM 1746 OD2 ASP A 109 3.220 -18.134 -6.463 1.00 0.85 O ATOM 0 H ASP A 109 2.237 -15.558 -3.336 1.00 0.67 H new ATOM 0 HA ASP A 109 4.716 -16.935 -4.224 1.00 0.86 H new ATOM 0 HB2 ASP A 109 2.702 -15.098 -5.604 1.00 0.98 H new ATOM 0 HB3 ASP A 109 4.118 -15.761 -6.395 1.00 0.98 H new ATOM 1751 N GLN A 110 5.055 -13.943 -5.037 1.00 0.71 N ATOM 1752 CA GLN A 110 5.909 -12.729 -4.911 1.00 0.59 C ATOM 1753 C GLN A 110 5.458 -11.681 -5.932 1.00 0.48 C ATOM 1754 O GLN A 110 4.809 -11.994 -6.910 1.00 0.55 O ATOM 1755 CB GLN A 110 7.369 -13.102 -5.173 1.00 0.68 C ATOM 1756 CG GLN A 110 8.285 -12.163 -4.387 1.00 0.39 C ATOM 1757 CD GLN A 110 8.491 -12.714 -2.975 1.00 1.67 C ATOM 1758 OE1 GLN A 110 7.663 -13.447 -2.469 1.00 2.94 O ATOM 1759 NE2 GLN A 110 9.568 -12.392 -2.311 1.00 2.01 N ATOM 0 H GLN A 110 4.546 -14.026 -5.917 1.00 0.71 H new ATOM 0 HA GLN A 110 5.814 -12.321 -3.905 1.00 0.59 H new ATOM 0 HB2 GLN A 110 7.550 -14.135 -4.877 1.00 0.68 H new ATOM 0 HB3 GLN A 110 7.587 -13.032 -6.239 1.00 0.68 H new ATOM 0 HG2 GLN A 110 9.245 -12.065 -4.894 1.00 0.39 H new ATOM 0 HG3 GLN A 110 7.847 -11.166 -4.339 1.00 0.39 H new ATOM 0 HE21 GLN A 110 10.263 -11.777 -2.734 1.00 2.01 H new ATOM 0 HE22 GLN A 110 9.714 -12.755 -1.369 1.00 2.01 H new ATOM 1768 N SER A 111 5.798 -10.441 -5.712 1.00 0.34 N ATOM 1769 CA SER A 111 5.387 -9.376 -6.671 1.00 0.24 C ATOM 1770 C SER A 111 6.277 -8.147 -6.479 1.00 0.15 C ATOM 1771 O SER A 111 6.810 -7.914 -5.412 1.00 0.22 O ATOM 1772 CB SER A 111 3.929 -8.995 -6.416 1.00 0.26 C ATOM 1773 OG SER A 111 3.708 -8.894 -5.015 1.00 0.27 O ATOM 0 H SER A 111 6.342 -10.119 -4.911 1.00 0.34 H new ATOM 0 HA SER A 111 5.492 -9.745 -7.691 1.00 0.24 H new ATOM 0 HB2 SER A 111 3.699 -8.047 -6.901 1.00 0.26 H new ATOM 0 HB3 SER A 111 3.265 -9.744 -6.848 1.00 0.26 H new ATOM 0 HG SER A 111 2.746 -8.839 -4.839 1.00 0.27 H new ATOM 1779 N THR A 112 6.442 -7.356 -7.505 1.00 0.12 N ATOM 1780 CA THR A 112 7.296 -6.142 -7.380 1.00 0.17 C ATOM 1781 C THR A 112 6.450 -4.974 -6.868 1.00 0.16 C ATOM 1782 O THR A 112 5.260 -4.909 -7.101 1.00 0.20 O ATOM 1783 CB THR A 112 7.881 -5.787 -8.749 1.00 0.25 C ATOM 1784 OG1 THR A 112 6.842 -5.779 -9.718 1.00 0.28 O ATOM 1785 CG2 THR A 112 8.938 -6.821 -9.139 1.00 0.26 C ATOM 0 H THR A 112 6.022 -7.499 -8.424 1.00 0.12 H new ATOM 0 HA THR A 112 8.107 -6.338 -6.678 1.00 0.17 H new ATOM 0 HB THR A 112 8.343 -4.801 -8.702 1.00 0.25 H new ATOM 0 HG1 THR A 112 7.214 -5.550 -10.595 1.00 0.28 H new ATOM 0 HG21 THR A 112 9.353 -6.567 -10.114 1.00 0.26 H new ATOM 0 HG22 THR A 112 9.735 -6.825 -8.395 1.00 0.26 H new ATOM 0 HG23 THR A 112 8.480 -7.809 -9.186 1.00 0.26 H new ATOM 1793 N LEU A 113 7.056 -4.051 -6.172 1.00 0.13 N ATOM 1794 CA LEU A 113 6.284 -2.890 -5.647 1.00 0.13 C ATOM 1795 C LEU A 113 5.527 -2.223 -6.797 1.00 0.11 C ATOM 1796 O LEU A 113 4.468 -1.655 -6.610 1.00 0.12 O ATOM 1797 CB LEU A 113 7.251 -1.883 -5.015 1.00 0.13 C ATOM 1798 CG LEU A 113 6.467 -0.738 -4.361 1.00 0.14 C ATOM 1799 CD1 LEU A 113 5.612 -1.274 -3.208 1.00 0.24 C ATOM 1800 CD2 LEU A 113 7.451 0.302 -3.818 1.00 0.13 C ATOM 0 H LEU A 113 8.050 -4.051 -5.945 1.00 0.13 H new ATOM 0 HA LEU A 113 5.573 -3.231 -4.895 1.00 0.13 H new ATOM 0 HB2 LEU A 113 7.871 -2.381 -4.270 1.00 0.13 H new ATOM 0 HB3 LEU A 113 7.923 -1.486 -5.776 1.00 0.13 H new ATOM 0 HG LEU A 113 5.815 -0.282 -5.106 1.00 0.14 H new ATOM 0 HD11 LEU A 113 5.060 -0.452 -2.752 1.00 0.24 H new ATOM 0 HD12 LEU A 113 4.910 -2.015 -3.590 1.00 0.24 H new ATOM 0 HD13 LEU A 113 6.257 -1.737 -2.461 1.00 0.24 H new ATOM 0 HD21 LEU A 113 6.898 1.118 -3.352 1.00 0.13 H new ATOM 0 HD22 LEU A 113 8.102 -0.164 -3.078 1.00 0.13 H new ATOM 0 HD23 LEU A 113 8.055 0.694 -4.637 1.00 0.13 H new ATOM 1812 N GLU A 114 6.059 -2.287 -7.987 1.00 0.09 N ATOM 1813 CA GLU A 114 5.368 -1.657 -9.147 1.00 0.08 C ATOM 1814 C GLU A 114 4.105 -2.454 -9.483 1.00 0.07 C ATOM 1815 O GLU A 114 3.002 -2.036 -9.194 1.00 0.07 O ATOM 1816 CB GLU A 114 6.304 -1.651 -10.357 1.00 0.08 C ATOM 1817 CG GLU A 114 5.657 -0.868 -11.501 1.00 0.03 C ATOM 1818 CD GLU A 114 6.587 -0.873 -12.715 1.00 0.51 C ATOM 1819 OE1 GLU A 114 6.695 -1.910 -13.350 1.00 1.62 O ATOM 1820 OE2 GLU A 114 7.177 0.160 -12.989 1.00 0.83 O ATOM 0 H GLU A 114 6.942 -2.748 -8.206 1.00 0.09 H new ATOM 0 HA GLU A 114 5.095 -0.633 -8.894 1.00 0.08 H new ATOM 0 HB2 GLU A 114 7.259 -1.200 -10.089 1.00 0.08 H new ATOM 0 HB3 GLU A 114 6.512 -2.673 -10.674 1.00 0.08 H new ATOM 0 HG2 GLU A 114 4.697 -1.314 -11.763 1.00 0.03 H new ATOM 0 HG3 GLU A 114 5.458 0.157 -11.187 1.00 0.03 H new ATOM 1827 N ASN A 115 4.259 -3.598 -10.091 1.00 0.06 N ATOM 1828 CA ASN A 115 3.066 -4.419 -10.445 1.00 0.06 C ATOM 1829 C ASN A 115 2.160 -4.551 -9.220 1.00 0.05 C ATOM 1830 O ASN A 115 0.958 -4.392 -9.305 1.00 0.08 O ATOM 1831 CB ASN A 115 3.520 -5.809 -10.896 1.00 0.06 C ATOM 1832 CG ASN A 115 3.937 -5.758 -12.366 1.00 0.28 C ATOM 1833 OD1 ASN A 115 4.025 -4.696 -12.948 1.00 1.23 O ATOM 1834 ND2 ASN A 115 4.198 -6.870 -12.998 1.00 1.37 N ATOM 0 H ASN A 115 5.158 -4.000 -10.358 1.00 0.06 H new ATOM 0 HA ASN A 115 2.517 -3.936 -11.254 1.00 0.06 H new ATOM 0 HB2 ASN A 115 4.355 -6.148 -10.282 1.00 0.06 H new ATOM 0 HB3 ASN A 115 2.712 -6.528 -10.761 1.00 0.06 H new ATOM 0 HD21 ASN A 115 4.475 -6.846 -13.979 1.00 1.37 H new ATOM 0 HD22 ASN A 115 4.125 -7.763 -12.511 1.00 1.37 H new ATOM 1841 N PHE A 116 2.725 -4.837 -8.080 1.00 0.03 N ATOM 1842 CA PHE A 116 1.896 -4.978 -6.850 1.00 0.04 C ATOM 1843 C PHE A 116 0.970 -3.767 -6.722 1.00 0.05 C ATOM 1844 O PHE A 116 -0.195 -3.896 -6.402 1.00 0.10 O ATOM 1845 CB PHE A 116 2.809 -5.054 -5.625 1.00 0.02 C ATOM 1846 CG PHE A 116 1.970 -5.049 -4.370 1.00 0.02 C ATOM 1847 CD1 PHE A 116 1.489 -3.839 -3.854 1.00 0.09 C ATOM 1848 CD2 PHE A 116 1.672 -6.253 -3.721 1.00 0.11 C ATOM 1849 CE1 PHE A 116 0.711 -3.833 -2.691 1.00 0.10 C ATOM 1850 CE2 PHE A 116 0.894 -6.247 -2.557 1.00 0.11 C ATOM 1851 CZ PHE A 116 0.413 -5.038 -2.042 1.00 0.02 C ATOM 0 H PHE A 116 3.726 -4.979 -7.947 1.00 0.03 H new ATOM 0 HA PHE A 116 1.300 -5.888 -6.914 1.00 0.04 H new ATOM 0 HB2 PHE A 116 3.416 -5.959 -5.666 1.00 0.02 H new ATOM 0 HB3 PHE A 116 3.497 -4.209 -5.618 1.00 0.02 H new ATOM 0 HD1 PHE A 116 1.719 -2.910 -4.354 1.00 0.09 H new ATOM 0 HD2 PHE A 116 2.042 -7.187 -4.118 1.00 0.11 H new ATOM 0 HE1 PHE A 116 0.340 -2.900 -2.294 1.00 0.10 H new ATOM 0 HE2 PHE A 116 0.665 -7.176 -2.056 1.00 0.11 H new ATOM 0 HZ PHE A 116 -0.188 -5.034 -1.145 1.00 0.02 H new ATOM 1861 N LEU A 117 1.478 -2.591 -6.968 1.00 0.10 N ATOM 1862 CA LEU A 117 0.624 -1.374 -6.861 1.00 0.14 C ATOM 1863 C LEU A 117 -0.399 -1.367 -7.998 1.00 0.18 C ATOM 1864 O LEU A 117 -1.449 -0.764 -7.898 1.00 0.21 O ATOM 1865 CB LEU A 117 1.504 -0.124 -6.957 1.00 0.19 C ATOM 1866 CG LEU A 117 1.863 0.362 -5.551 1.00 0.24 C ATOM 1867 CD1 LEU A 117 3.101 1.257 -5.622 1.00 0.22 C ATOM 1868 CD2 LEU A 117 0.693 1.162 -4.969 1.00 0.39 C ATOM 0 H LEU A 117 2.447 -2.420 -7.238 1.00 0.10 H new ATOM 0 HA LEU A 117 0.102 -1.379 -5.904 1.00 0.14 H new ATOM 0 HB2 LEU A 117 2.411 -0.348 -7.518 1.00 0.19 H new ATOM 0 HB3 LEU A 117 0.979 0.661 -7.501 1.00 0.19 H new ATOM 0 HG LEU A 117 2.068 -0.498 -4.914 1.00 0.24 H new ATOM 0 HD11 LEU A 117 3.357 1.604 -4.621 1.00 0.22 H new ATOM 0 HD12 LEU A 117 3.936 0.691 -6.035 1.00 0.22 H new ATOM 0 HD13 LEU A 117 2.893 2.115 -6.261 1.00 0.22 H new ATOM 0 HD21 LEU A 117 0.951 1.507 -3.968 1.00 0.39 H new ATOM 0 HD22 LEU A 117 0.487 2.021 -5.607 1.00 0.39 H new ATOM 0 HD23 LEU A 117 -0.192 0.527 -4.918 1.00 0.39 H new ATOM 1880 N GLU A 118 -0.102 -2.034 -9.080 1.00 0.19 N ATOM 1881 CA GLU A 118 -1.057 -2.065 -10.223 1.00 0.24 C ATOM 1882 C GLU A 118 -2.275 -2.911 -9.845 1.00 0.23 C ATOM 1883 O GLU A 118 -3.362 -2.402 -9.660 1.00 0.25 O ATOM 1884 CB GLU A 118 -0.370 -2.677 -11.445 1.00 0.28 C ATOM 1885 CG GLU A 118 -1.221 -2.423 -12.690 1.00 0.46 C ATOM 1886 CD GLU A 118 -1.169 -3.648 -13.603 1.00 2.19 C ATOM 1887 OE1 GLU A 118 -1.978 -4.542 -13.410 1.00 3.56 O ATOM 1888 OE2 GLU A 118 -0.322 -3.673 -14.482 1.00 2.47 O ATOM 0 H GLU A 118 0.761 -2.559 -9.221 1.00 0.19 H new ATOM 0 HA GLU A 118 -1.377 -1.050 -10.458 1.00 0.24 H new ATOM 0 HB2 GLU A 118 0.621 -2.242 -11.574 1.00 0.28 H new ATOM 0 HB3 GLU A 118 -0.231 -3.748 -11.299 1.00 0.28 H new ATOM 0 HG2 GLU A 118 -2.251 -2.214 -12.403 1.00 0.46 H new ATOM 0 HG3 GLU A 118 -0.854 -1.545 -13.221 1.00 0.46 H new ATOM 1895 N ARG A 119 -2.102 -4.199 -9.731 1.00 0.24 N ATOM 1896 CA ARG A 119 -3.251 -5.075 -9.366 1.00 0.23 C ATOM 1897 C ARG A 119 -3.995 -4.471 -8.174 1.00 0.19 C ATOM 1898 O ARG A 119 -5.206 -4.512 -8.101 1.00 0.17 O ATOM 1899 CB ARG A 119 -2.734 -6.466 -8.993 1.00 0.21 C ATOM 1900 CG ARG A 119 -1.803 -6.359 -7.784 1.00 0.17 C ATOM 1901 CD ARG A 119 -0.849 -7.553 -7.766 1.00 0.07 C ATOM 1902 NE ARG A 119 -1.511 -8.728 -8.400 1.00 0.29 N ATOM 1903 CZ ARG A 119 -0.800 -9.760 -8.764 1.00 0.23 C ATOM 1904 NH1 ARG A 119 0.492 -9.763 -8.574 1.00 0.41 N ATOM 1905 NH2 ARG A 119 -1.379 -10.788 -9.320 1.00 0.46 N ATOM 0 H ARG A 119 -1.215 -4.683 -9.875 1.00 0.24 H new ATOM 0 HA ARG A 119 -3.930 -5.155 -10.215 1.00 0.23 H new ATOM 0 HB2 ARG A 119 -3.570 -7.127 -8.764 1.00 0.21 H new ATOM 0 HB3 ARG A 119 -2.202 -6.906 -9.837 1.00 0.21 H new ATOM 0 HG2 ARG A 119 -1.237 -5.429 -7.829 1.00 0.17 H new ATOM 0 HG3 ARG A 119 -2.387 -6.333 -6.864 1.00 0.17 H new ATOM 0 HD2 ARG A 119 0.069 -7.307 -8.300 1.00 0.07 H new ATOM 0 HD3 ARG A 119 -0.567 -7.791 -6.740 1.00 0.07 H new ATOM 0 HE ARG A 119 -2.520 -8.726 -8.549 1.00 0.29 H new ATOM 0 HH11 ARG A 119 0.946 -8.959 -8.141 1.00 0.41 H new ATOM 0 HH12 ARG A 119 1.047 -10.570 -8.859 1.00 0.41 H new ATOM 0 HH21 ARG A 119 -2.388 -10.785 -9.470 1.00 0.46 H new ATOM 0 HH22 ARG A 119 -0.823 -11.594 -9.604 1.00 0.46 H new ATOM 1919 N LEU A 120 -3.279 -3.908 -7.239 1.00 0.18 N ATOM 1920 CA LEU A 120 -3.946 -3.302 -6.053 1.00 0.15 C ATOM 1921 C LEU A 120 -4.794 -2.112 -6.508 1.00 0.14 C ATOM 1922 O LEU A 120 -5.993 -2.083 -6.316 1.00 0.13 O ATOM 1923 CB LEU A 120 -2.881 -2.825 -5.060 1.00 0.14 C ATOM 1924 CG LEU A 120 -3.496 -2.680 -3.662 1.00 0.12 C ATOM 1925 CD1 LEU A 120 -2.399 -2.307 -2.662 1.00 0.12 C ATOM 1926 CD2 LEU A 120 -4.564 -1.583 -3.669 1.00 0.12 C ATOM 0 H LEU A 120 -2.261 -3.842 -7.246 1.00 0.18 H new ATOM 0 HA LEU A 120 -4.584 -4.042 -5.570 1.00 0.15 H new ATOM 0 HB2 LEU A 120 -2.055 -3.535 -5.031 1.00 0.14 H new ATOM 0 HB3 LEU A 120 -2.469 -1.870 -5.386 1.00 0.14 H new ATOM 0 HG LEU A 120 -3.955 -3.626 -3.375 1.00 0.12 H new ATOM 0 HD11 LEU A 120 -2.833 -2.203 -1.668 1.00 0.12 H new ATOM 0 HD12 LEU A 120 -1.640 -3.089 -2.647 1.00 0.12 H new ATOM 0 HD13 LEU A 120 -1.942 -1.363 -2.959 1.00 0.12 H new ATOM 0 HD21 LEU A 120 -4.994 -1.488 -2.672 1.00 0.12 H new ATOM 0 HD22 LEU A 120 -4.111 -0.636 -3.960 1.00 0.12 H new ATOM 0 HD23 LEU A 120 -5.348 -1.843 -4.380 1.00 0.12 H new ATOM 1938 N LYS A 121 -4.181 -1.131 -7.111 1.00 0.17 N ATOM 1939 CA LYS A 121 -4.954 0.054 -7.578 1.00 0.19 C ATOM 1940 C LYS A 121 -6.145 -0.412 -8.416 1.00 0.21 C ATOM 1941 O LYS A 121 -7.217 0.158 -8.359 1.00 0.30 O ATOM 1942 CB LYS A 121 -4.050 0.948 -8.431 1.00 0.20 C ATOM 1943 CG LYS A 121 -4.747 2.286 -8.686 1.00 0.19 C ATOM 1944 CD LYS A 121 -4.694 2.614 -10.180 1.00 0.88 C ATOM 1945 CE LYS A 121 -3.237 2.663 -10.641 1.00 0.75 C ATOM 1946 NZ LYS A 121 -3.003 3.914 -11.416 1.00 0.95 N ATOM 0 H LYS A 121 -3.179 -1.099 -7.300 1.00 0.17 H new ATOM 0 HA LYS A 121 -5.314 0.616 -6.716 1.00 0.19 H new ATOM 0 HB2 LYS A 121 -3.100 1.112 -7.923 1.00 0.20 H new ATOM 0 HB3 LYS A 121 -3.825 0.457 -9.378 1.00 0.20 H new ATOM 0 HG2 LYS A 121 -5.783 2.238 -8.350 1.00 0.19 H new ATOM 0 HG3 LYS A 121 -4.262 3.076 -8.112 1.00 0.19 H new ATOM 0 HD2 LYS A 121 -5.241 1.861 -10.748 1.00 0.88 H new ATOM 0 HD3 LYS A 121 -5.179 3.571 -10.370 1.00 0.88 H new ATOM 0 HE2 LYS A 121 -2.570 2.626 -9.779 1.00 0.75 H new ATOM 0 HE3 LYS A 121 -3.010 1.793 -11.257 1.00 0.75 H new ATOM 0 HZ1 LYS A 121 -2.012 3.948 -11.730 1.00 0.95 H new ATOM 0 HZ2 LYS A 121 -3.630 3.931 -12.246 1.00 0.95 H new ATOM 0 HZ3 LYS A 121 -3.204 4.738 -10.814 1.00 0.95 H new ATOM 1960 N THR A 122 -5.968 -1.444 -9.194 1.00 0.23 N ATOM 1961 CA THR A 122 -7.091 -1.946 -10.034 1.00 0.23 C ATOM 1962 C THR A 122 -8.170 -2.549 -9.133 1.00 0.20 C ATOM 1963 O THR A 122 -9.331 -2.199 -9.219 1.00 0.16 O ATOM 1964 CB THR A 122 -6.570 -3.017 -10.995 1.00 0.26 C ATOM 1965 OG1 THR A 122 -5.250 -2.685 -11.401 1.00 0.46 O ATOM 1966 CG2 THR A 122 -7.481 -3.091 -12.221 1.00 0.28 C ATOM 0 H THR A 122 -5.094 -1.961 -9.284 1.00 0.23 H new ATOM 0 HA THR A 122 -7.515 -1.121 -10.606 1.00 0.23 H new ATOM 0 HB THR A 122 -6.563 -3.984 -10.493 1.00 0.26 H new ATOM 0 HG1 THR A 122 -4.613 -2.982 -10.718 1.00 0.46 H new ATOM 0 HG21 THR A 122 -7.109 -3.854 -12.905 1.00 0.28 H new ATOM 0 HG22 THR A 122 -8.493 -3.347 -11.907 1.00 0.28 H new ATOM 0 HG23 THR A 122 -7.491 -2.125 -12.726 1.00 0.28 H new ATOM 1974 N ILE A 123 -7.799 -3.453 -8.269 1.00 0.24 N ATOM 1975 CA ILE A 123 -8.805 -4.077 -7.363 1.00 0.24 C ATOM 1976 C ILE A 123 -9.527 -2.982 -6.575 1.00 0.15 C ATOM 1977 O ILE A 123 -10.678 -3.122 -6.214 1.00 0.25 O ATOM 1978 CB ILE A 123 -8.100 -5.025 -6.392 1.00 0.38 C ATOM 1979 CG1 ILE A 123 -7.603 -6.255 -7.154 1.00 0.40 C ATOM 1980 CG2 ILE A 123 -9.080 -5.463 -5.303 1.00 0.51 C ATOM 1981 CD1 ILE A 123 -6.548 -6.983 -6.318 1.00 0.49 C ATOM 0 H ILE A 123 -6.842 -3.787 -8.151 1.00 0.24 H new ATOM 0 HA ILE A 123 -9.529 -4.638 -7.954 1.00 0.24 H new ATOM 0 HB ILE A 123 -7.254 -4.513 -5.934 1.00 0.38 H new ATOM 0 HG12 ILE A 123 -8.436 -6.924 -7.369 1.00 0.40 H new ATOM 0 HG13 ILE A 123 -7.179 -5.955 -8.112 1.00 0.40 H new ATOM 0 HG21 ILE A 123 -8.577 -6.139 -4.611 1.00 0.51 H new ATOM 0 HG22 ILE A 123 -9.436 -4.587 -4.760 1.00 0.51 H new ATOM 0 HG23 ILE A 123 -9.926 -5.976 -5.760 1.00 0.51 H new ATOM 0 HD11 ILE A 123 -6.194 -7.859 -6.861 1.00 0.49 H new ATOM 0 HD12 ILE A 123 -5.710 -6.313 -6.126 1.00 0.49 H new ATOM 0 HD13 ILE A 123 -6.987 -7.296 -5.371 1.00 0.49 H new ATOM 1993 N MET A 124 -8.861 -1.893 -6.308 1.00 0.25 N ATOM 1994 CA MET A 124 -9.512 -0.792 -5.545 1.00 0.22 C ATOM 1995 C MET A 124 -10.659 -0.211 -6.377 1.00 0.14 C ATOM 1996 O MET A 124 -11.777 -0.097 -5.917 1.00 0.19 O ATOM 1997 CB MET A 124 -8.487 0.306 -5.254 1.00 0.32 C ATOM 1998 CG MET A 124 -7.706 -0.048 -3.987 1.00 0.30 C ATOM 1999 SD MET A 124 -8.518 0.695 -2.550 1.00 0.19 S ATOM 2000 CE MET A 124 -7.213 0.345 -1.346 1.00 0.66 C ATOM 0 H MET A 124 -7.895 -1.718 -6.585 1.00 0.25 H new ATOM 0 HA MET A 124 -9.901 -1.181 -4.604 1.00 0.22 H new ATOM 0 HB2 MET A 124 -7.804 0.413 -6.097 1.00 0.32 H new ATOM 0 HB3 MET A 124 -8.991 1.264 -5.128 1.00 0.32 H new ATOM 0 HG2 MET A 124 -7.654 -1.130 -3.869 1.00 0.30 H new ATOM 0 HG3 MET A 124 -6.681 0.314 -4.066 1.00 0.30 H new ATOM 0 HE1 MET A 124 -7.509 0.725 -0.368 1.00 0.66 H new ATOM 0 HE2 MET A 124 -7.054 -0.732 -1.284 1.00 0.66 H new ATOM 0 HE3 MET A 124 -6.289 0.831 -1.660 1.00 0.66 H new ATOM 2010 N ARG A 125 -10.388 0.152 -7.601 1.00 0.19 N ATOM 2011 CA ARG A 125 -11.461 0.721 -8.464 1.00 0.11 C ATOM 2012 C ARG A 125 -12.478 -0.372 -8.797 1.00 0.22 C ATOM 2013 O ARG A 125 -13.550 -0.103 -9.303 1.00 0.40 O ATOM 2014 CB ARG A 125 -10.846 1.258 -9.757 1.00 0.14 C ATOM 2015 CG ARG A 125 -10.482 2.732 -9.577 1.00 0.41 C ATOM 2016 CD ARG A 125 -9.348 3.100 -10.537 1.00 0.62 C ATOM 2017 NE ARG A 125 -9.474 4.531 -10.930 1.00 0.97 N ATOM 2018 CZ ARG A 125 -8.470 5.144 -11.495 1.00 1.35 C ATOM 2019 NH1 ARG A 125 -7.356 4.503 -11.716 1.00 1.85 N ATOM 2020 NH2 ARG A 125 -8.580 6.398 -11.839 1.00 1.80 N ATOM 0 H ARG A 125 -9.470 0.079 -8.040 1.00 0.19 H new ATOM 0 HA ARG A 125 -11.960 1.534 -7.936 1.00 0.11 H new ATOM 0 HB2 ARG A 125 -9.957 0.682 -10.016 1.00 0.14 H new ATOM 0 HB3 ARG A 125 -11.550 1.145 -10.581 1.00 0.14 H new ATOM 0 HG2 ARG A 125 -11.353 3.359 -9.769 1.00 0.41 H new ATOM 0 HG3 ARG A 125 -10.176 2.919 -8.548 1.00 0.41 H new ATOM 0 HD2 ARG A 125 -8.383 2.926 -10.060 1.00 0.62 H new ATOM 0 HD3 ARG A 125 -9.386 2.464 -11.422 1.00 0.62 H new ATOM 0 HE ARG A 125 -10.345 5.032 -10.757 1.00 0.97 H new ATOM 0 HH11 ARG A 125 -7.270 3.523 -11.447 1.00 1.85 H new ATOM 0 HH12 ARG A 125 -6.571 4.982 -12.158 1.00 1.85 H new ATOM 0 HH21 ARG A 125 -9.451 6.900 -11.666 1.00 1.80 H new ATOM 0 HH22 ARG A 125 -7.795 6.876 -12.281 1.00 1.80 H new ATOM 2034 N GLU A 126 -12.150 -1.605 -8.519 1.00 0.13 N ATOM 2035 CA GLU A 126 -13.099 -2.714 -8.821 1.00 0.23 C ATOM 2036 C GLU A 126 -14.170 -2.780 -7.731 1.00 0.31 C ATOM 2037 O GLU A 126 -15.351 -2.846 -8.011 1.00 0.46 O ATOM 2038 CB GLU A 126 -12.334 -4.040 -8.867 1.00 0.20 C ATOM 2039 CG GLU A 126 -13.298 -5.177 -9.215 1.00 0.55 C ATOM 2040 CD GLU A 126 -14.013 -5.647 -7.948 1.00 1.95 C ATOM 2041 OE1 GLU A 126 -13.394 -6.353 -7.169 1.00 2.54 O ATOM 2042 OE2 GLU A 126 -15.169 -5.293 -7.778 1.00 2.88 O ATOM 0 H GLU A 126 -11.267 -1.892 -8.096 1.00 0.13 H new ATOM 0 HA GLU A 126 -13.574 -2.534 -9.785 1.00 0.23 H new ATOM 0 HB2 GLU A 126 -11.537 -3.986 -9.608 1.00 0.20 H new ATOM 0 HB3 GLU A 126 -11.861 -4.232 -7.904 1.00 0.20 H new ATOM 0 HG2 GLU A 126 -14.026 -4.838 -9.951 1.00 0.55 H new ATOM 0 HG3 GLU A 126 -12.752 -6.006 -9.665 1.00 0.55 H new ATOM 2049 N LYS A 127 -13.768 -2.764 -6.490 1.00 0.28 N ATOM 2050 CA LYS A 127 -14.763 -2.826 -5.383 1.00 0.40 C ATOM 2051 C LYS A 127 -15.333 -1.429 -5.130 1.00 0.46 C ATOM 2052 O LYS A 127 -16.418 -1.276 -4.605 1.00 0.81 O ATOM 2053 CB LYS A 127 -14.081 -3.336 -4.112 1.00 0.42 C ATOM 2054 CG LYS A 127 -13.406 -4.679 -4.397 1.00 0.41 C ATOM 2055 CD LYS A 127 -13.420 -5.538 -3.131 1.00 0.63 C ATOM 2056 CE LYS A 127 -12.275 -6.550 -3.189 1.00 0.36 C ATOM 2057 NZ LYS A 127 -12.676 -7.795 -2.473 1.00 1.41 N ATOM 0 H LYS A 127 -12.793 -2.711 -6.195 1.00 0.28 H new ATOM 0 HA LYS A 127 -15.571 -3.504 -5.659 1.00 0.40 H new ATOM 0 HB2 LYS A 127 -13.343 -2.612 -3.768 1.00 0.42 H new ATOM 0 HB3 LYS A 127 -14.814 -3.448 -3.313 1.00 0.42 H new ATOM 0 HG2 LYS A 127 -13.926 -5.195 -5.205 1.00 0.41 H new ATOM 0 HG3 LYS A 127 -12.380 -4.519 -4.729 1.00 0.41 H new ATOM 0 HD2 LYS A 127 -13.317 -4.906 -2.249 1.00 0.63 H new ATOM 0 HD3 LYS A 127 -14.374 -6.057 -3.041 1.00 0.63 H new ATOM 0 HE2 LYS A 127 -12.029 -6.777 -4.226 1.00 0.36 H new ATOM 0 HE3 LYS A 127 -11.379 -6.128 -2.734 1.00 0.36 H new ATOM 0 HZ1 LYS A 127 -11.898 -8.484 -2.512 1.00 1.41 H new ATOM 0 HZ2 LYS A 127 -12.891 -7.571 -1.480 1.00 1.41 H new ATOM 0 HZ3 LYS A 127 -13.520 -8.200 -2.927 1.00 1.41 H new ATOM 2071 N TYR A 128 -14.611 -0.407 -5.500 1.00 0.14 N ATOM 2072 CA TYR A 128 -15.113 0.979 -5.280 1.00 0.18 C ATOM 2073 C TYR A 128 -16.421 1.175 -6.049 1.00 0.31 C ATOM 2074 O TYR A 128 -17.024 2.229 -6.007 1.00 0.28 O ATOM 2075 CB TYR A 128 -14.072 1.983 -5.781 1.00 0.11 C ATOM 2076 CG TYR A 128 -14.491 3.380 -5.391 1.00 0.15 C ATOM 2077 CD1 TYR A 128 -14.112 3.904 -4.150 1.00 0.14 C ATOM 2078 CD2 TYR A 128 -15.258 4.152 -6.273 1.00 0.19 C ATOM 2079 CE1 TYR A 128 -14.500 5.200 -3.789 1.00 0.17 C ATOM 2080 CE2 TYR A 128 -15.645 5.448 -5.912 1.00 0.22 C ATOM 2081 CZ TYR A 128 -15.266 5.972 -4.670 1.00 0.21 C ATOM 2082 OH TYR A 128 -15.649 7.250 -4.314 1.00 0.24 O ATOM 0 H TYR A 128 -13.695 -0.472 -5.945 1.00 0.14 H new ATOM 0 HA TYR A 128 -15.289 1.138 -4.216 1.00 0.18 H new ATOM 0 HB2 TYR A 128 -13.095 1.753 -5.356 1.00 0.11 H new ATOM 0 HB3 TYR A 128 -13.973 1.911 -6.864 1.00 0.11 H new ATOM 0 HD1 TYR A 128 -13.520 3.309 -3.471 1.00 0.14 H new ATOM 0 HD2 TYR A 128 -15.551 3.748 -7.231 1.00 0.19 H new ATOM 0 HE1 TYR A 128 -14.208 5.604 -2.831 1.00 0.17 H new ATOM 0 HE2 TYR A 128 -16.236 6.044 -6.592 1.00 0.22 H new ATOM 0 HH TYR A 128 -16.175 7.648 -5.039 1.00 0.24 H new